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Iuliia Voroshylova completed her Bachelor's degree in chemistry in 2006, followed by a Master's degree in 2007 and finally by a PhD in physical chemistry in 2013 at V.N. Karazin Kharkiv National University. Currently she is a researcher at the Associated Laboratory for Green Chemistry at REQUIMTE (LAQV@REQUIMTE), University of Porto, Portugal. Dr. Voroshylova is, for a long time, working upon a comprehensive description of the ionic liquids (ILs) containing ion-molecular systems. She is also interested in ionic liquids alternatives, such as deep eutectic solvents (DES), as well as in computational description of processes occurring during molecularly imprinting polymers (MIPs) formation. She has a broad experience in a number of experimental methods (IR and NMR spectroscopy, conductimetry, densimetry, viscosimetry, cyclic voltammetry). Currently, she employs a wide range of theoretical tools (classical and ab initio molecular dynamics simulations and quantum mechanical calculations) to unveil structure peculiarities and transport features of pure ionic liquids, their mixtures with molecular co-solvents, and deep eutectic solvents in bulk and confined between electrodes, as well as applied to other complex ion-molecular systems. Dr. Voroshylova participates in conjunction with experimental analytical chemistry group in development of molecularly imprinted polymers for selective determination of pharmaceuticals in water samples. Iuliia Voroshylova participated in several projects financed by national (Portuguese and Ukrainian) and international funding agencies, as team member and co-PI (1 project). She has authored more than 40 significant peer-reviewed publications, including 1 book and 3 book chapters, related to ionic liquids, deep eutectic solvents and MIPs. She has participated in national and international conferences with 26 poster and 21 oral presentations. Iuliia Voroshylova regularly takes training courses, schools, webinars, etc, to deepen knowledge and improve skills in her field of research. She also lectured/lectures courses, related to physical chemistry and molecular dynamics simulation. She supervises/co-supervises Bachelor, Master and PhD students and serves as an invited referee for the world's leading professional journals and agencies.
Identification

Personal identification

Full name
Iuliia Voroshylova

Citation names

  • Voroshylova, Iuliia
  • Iuliia V. Voroshylova
  • Usina, J. V.
  • Usina, Y. V.

Author identifiers

Ciência ID
A818-B61E-C498
ORCID iD
0000-0003-2921-5155
Google Scholar ID
https://scholar.google.com/citations?user=DqqgcSIAAAAJ&hl=en
Researcher Id
D-2163-2016

Email addresses

  • voroshylova.iuliia@fc.up.pt (Professional)

Telephones

Telephone
  • 227849263 (Personal)

Addresses

  • Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto. Rua Campo Alegre, 687, s/n, 4169 - 007, Porto, Porto, Portugal (Professional)

Websites

Knowledge fields

  • Exact Sciences - Chemical Sciences - Physical Chemistry

Languages

Language Speaking Reading Writing Listening Peer-review
English Advanced (C1) Proficiency (C2) Proficiency (C2) Proficiency (C2) Proficiency (C2)
Portuguese Proficiency (C2) Proficiency (C2) Advanced (C1) Proficiency (C2)
Ukrainian (Mother tongue)
Russian (Mother tongue)
Education
Degree Classification
2024/05/17 - 2024/06/08
Concluded
Introduction to data processing with Python and Spark (Outros)
Major in ciência de computadores, programação
Universidade do Porto Faculdade de Ciências, Portugal

Universidade do Porto Departamento de Ciência de Computadores, Portugal
18
2023/10/25 - 2023/12/20
Concluded
Database management systems (DBMS) - Power BI (Outros)
Major in ciência de computadores, programação
Engenharia Informática e Sistemas, Novas Tecnologias (EISnt), Portugal
2023/09/07 - 2023/10/31
Concluded
Advanced programming with Python (Outros)
Major in ciência de computadores, programação
Engenharia Informática e Sistemas, Novas Tecnologias (EISnt), Portugal
2023/07/03 - 2023/08/24
Concluded
Python fundamentals (Outros)
Major in ciência de computadores, programação
Engenharia Informática e Sistemas, Novas Tecnologias (EISnt), Portugal
2023/04/28 - 2023/06/17
Concluded
SQL databases (Outros)
Major in ciência de computadores, programação
Universidade do Porto Faculdade de Ciências, Portugal

Universidade do Porto Departamento de Ciência de Computadores, Portugal
18
2023/03/03 - 2023/04/22
Concluded
Programming in Python (Outros)
Major in ciência de computadores, programação
Universidade do Porto Faculdade de Ciências, Portugal

Universidade do Porto Departamento de Ciência de Computadores, Portugal
19
2014/06/01 - 2018/10/31
Concluded
Solvent - solute interactions in Room Temperature Ionic Liquid: An experimental and theoretical approach (Pós-doutoramento)
Universidade do Porto Centro de Investigação em Química, Portugal

REQUIMTE LAQV Porto, Portugal
2013/11/21
Concluded
Candidate of Chemical Sciences (PhD) (Doctor)
Major in Physical Chemistry
Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
"Physical and chemical properties and microstructure of binary mixtures based on imidazolium and pyridinium ionic liquids with acetonitrile and methanol" (THESIS/DISSERTATION)
approved
2006/09/01 - 2007/07/03
Concluded
Master's Degree in Chemistry (Master)
Major in Inorganic Chemistry
Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
"Physical and chemical properties of tetraalkylammonium salts in acetonitrile within the wide range of concentrations" (THESIS/DISSERTATION)
Excellent
2002/09/01 - 2006/07/03
Concluded
Bachelor's Degree in Chemistry (Bachelor)
Major in Inorganic Chemistry
Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
"Inter-ion association and electrical conductivity of Bu4NBr solutions of moderate and high concentration in acetonitrile" (THESIS/DISSERTATION)
Excellent
Affiliation

Science

Category
Host institution
Employer
2018/11/01 - Current Contracted Researcher (Research) Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal
Universidade do Porto Faculdade de Ciências, Portugal
2014/06/01 - 2018/10/31 Postdoc (Research) Universidade do Porto Centro de Investigação em Química, Portugal
Universidade do Porto Faculdade de Ciências, Portugal
2014/06/01 - 2018/10/31 Postdoc (Research) Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal
Universidade do Porto Faculdade de Ciências, Portugal
2012/01/15 - 2013/08/31 Researcher (Research) Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
2010/12/01 - 2011/12/01 Researcher (Research) Universidade do Porto Instituto de Ciências e Tecnologias Agrárias e Agro-Alimentares, Portugal
2008/09/01 - 2010/11/30 Research Assistant (Research) Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine

Teaching in Higher Education

Category
Host institution
Employer
2024/02 - Current Invited Assistant Professor (University Teacher) Universidade do Porto Faculdade de Ciências, Portugal
Universidade do Porto Faculdade de Ciências, Portugal
2012/09/01 - 2013/08/31 Assistant (University Teacher) Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
2007/09/01 - 2008/08/31 Assistant (University Teacher) Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine

Others

Category
Host institution
Employer
2019/07/29 - 2020/03/09 Licença de maternidade REQUIMTE LAQV Porto, Portugal
Projects

Grant

Designation Funders
2014/06/01 - 2018/10/31 Solvent - solute interactions in Room Temperature Ionic Liquid: An experimental and theoretical approach
SFRH/BPD/97918/2013
Post-doc Fellow
Universidade do Porto Centro de Investigação em Química, Portugal

REQUIMTE LAQV Porto, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2010/03/01 - 2011/11/30 Equilibrium, structure and dynamics of liquid-liquid interfaces involving ionic liquids
Universidade do Porto Instituto de Ciências e Tecnologias Agrárias e Agro-Alimentares, Portugal
Universidade do Algarve Faculdade de Ciências e Tecnologia
Concluded

Contract

Designation Funders
2024 - Current SUPREMA: SUPercapacitor performance through Rational Electrolyte and Electrode design: Modular computational Approach
2023.14768.PEX
Principal investigator
Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal
Not funded
2022/01/01 - Current PaperSenseMIP - Paper-based molecularly imprinted polymer devices for the analysis of pharmaceuticals
PTDC/QUI-QAN/3899/2021
external researcher
REQUIMTE LAQV Porto, Portugal
Fundação para a Ciência e a Tecnologia
Ongoing
2021/01/01 - 2025/12/31 Laboratório Associado para a Química Verde - Tecnologias e Processos Limpos
LA/P/0008/2020
Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal

Universidade de Aveiro, Portugal

Associação para a Inovação e Desenvolvimento da FCT, Portugal

Universidade de Évora, Portugal

Unidade de Investigação Vidro e Cerâmica para as Artes, Portugal

Universidade de Lisboa Instituto Dom Luiz, Portugal

Universidade NOVA de Lisboa, Portugal
Fundação para a Ciência e a Tecnologia
Ongoing
2024/06/01 - 2025/05/31 2023.10811.CPCA: Solvent-in-salt electrolytes for safe and efficient energy storage: Multiscale Theoretical Approach
2023.10811.CPCA
Principal investigator
Rede Nacional de Computação Avançada, Portugal
Fundação para a Ciência e a Tecnologia
Ongoing
2024/04/15 - 2024/04/26 Optimization of chromium electrodeposition methods from dense ionic solvents for more efficient and environmentally friendly chromium plating: computational study.
Principal investigator
Universidade de Santiago de Compostela, Spain

Universidade do Porto, Portugal
Agrupación Europea de Cooperación Territorial – Galicia-Norte de Portugal (GNP-AECT)
Concluded
2023/05/15 - 2023/05/26 Development of electrolyte-electrode systems based on ionic liquids for new generation energy storage and transformation devices: computational study.
Principal investigator
Universidade de Santiago de Compostela, Spain

Universidade do Porto, Portugal
Agrupación Europea de Cooperación Territorial – Galicia-Norte de Portugal (GNP-AECT)
Concluded
2023 - 2023 Rational Design of Electrolyte and Electrode Components for High-Performance Supercapacitors: A Computational Approach
2023.07858.CEECIND
REQUIMTE LAQV Porto, Portugal

Universidade do Porto Faculdade de Ciências, Portugal
Fundação para a Ciência e a Tecnologia
Not funded
2022 - 2022 GreeMRoy: Rational development of greener methodologies for isolation of natural bioactive compounds: computational and experimental approach
2022.03778.PTDC
Principal investigator
REQUIMTE LAQV Porto, Portugal

Universidade do Porto Faculdade de Ciências, Portugal
Fundação para a Ciência e a Tecnologia
Not funded
2022 - 2022 SiSEs systems for safe and efficient energy storage: Multiscale Theoretical Approach
2022.15859.CPCA
Principal investigator
REQUIMTE LAQV Porto, Portugal

Universidade do Porto Faculdade de Ciências, Portugal
Fundação para a Ciência e a Tecnologia

Fundacao de Computacao Cientifica Nacional
Not funded
2021/05/01 - 2021/12/31 Surfactants in deep eutectic solvents: MD simulation in bulk and confinement (200 000 core-h)
C210400522
Principal investigator
Forschungszentrum Jülich Jülich Supercomputing Centre, Germany
Forschungszentrum Jülich Jülich Supercomputing Centre
Concluded
2021 - 2021 SiSEs systems for safe energy storage: Multiscale Theoretical Approach
2021.09785.CPCA
Principal investigator
REQUIMTE LAQV Porto, Portugal

Universidade do Porto Faculdade de Ciências, Portugal
Fundação para a Ciência e a Tecnologia

Fundacao de Computacao Cientifica Nacional
Not funded
2021 - 2021 Energy@MOFs: Boosting energy storage prospects of conductive dense ionic liquids@metal-organic frameworks (MOFs)
PTDC/QUI-ELT/3745/2021
Co-Principal Investigator (Co-PI)
REQUIMTE LAQV Porto, Portugal

Universidade do Porto Centro de Investigação em Química, Portugal

Universidade do Porto Faculdade de Ciências, Portugal
Fundação para a Ciência e a Tecnologia
Not funded
2018/07/01 - 2020/06/30 IL4Energy - Ionic Liquids under nanoconfinement for advanced energy applications
NORTE-01-0145-FEDER-032294
Researcher
Universidade do Porto Centro de Investigação em Química, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2020 - 2020 ReAlEnergy: Rechargeable Aluminum batteries with deep eutectic solvent electrolytes: towards sustainable energy
PTDC/QUI-QFI/2526/2020
Principal investigator
REQUIMTE LAQV Porto, Portugal

Universidade do Porto Faculdade de Ciências, Portugal
Fundação para a Ciência e a Tecnologia
Not funded
2019/01/01 - 2019/12/31 Associated Laboratory for Green Chemistry - Clean Technologies and Processes
UID/QUI/50006/2019
Universidade do Porto Faculdade de Ciências, Portugal

Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal

Universidade do Porto Instituto de Ciências Tecnologias e Agroambiente, Portugal

Associação para a Inovação e Desenvolvimento da FCT, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2019/01/01 - 2019/12/31 Centro de Investigação em Química da Universidade do Porto
UID/QUI/00081/2019
Universidade do Porto Faculdade de Ciências, Portugal

Universidade do Porto Centro de Investigação em Química, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2019/01/01 - 2019/12/31 Laboratório Associado para a Química Verde - Tecnologias e Processos Limpos (UID/QUI/50006/2019)
UID/QUI/50006/2019
Universidade do Porto Faculdade de Ciências, Portugal

Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal

Universidade do Porto Instituto de Ciências Tecnologias e Agroambiente, Portugal

Universidade Nova de Lisboa Associação para a Inovação e Desenvolvimento da FCT, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2018 - 2018 IoLiLEC – Ionic Liquids for Light­absorbing Electrochemical Cell
CEECIND/02255/2017
Researcher
REQUIMTE LAQV Porto, Portugal

Universidade do Porto Faculdade de Ciências, Portugal
Fundação para a Ciência e a Tecnologia
Not funded
2015 - 2015 Electrolytes for batteries with improved safety properties: simulation and experimental studies
PTDC/QEQ-QFI/0996/2014
Principal investigator
Not funded
2009 - 2010 Structure, dynamics and interparticle interactions in liquid non-aqueous ion-molecular systems
0103U004189
Researcher
Harkivs'kij nacional'nij universitet imeni V N Karazina Himicnij fakul'tet, Ukraine
Ukrainian National Fund For Fundamental Research
Concluded
2008 - 2009 Co-PI in "Structure and dynamics of ion-molecular systems in the bulk phase and carbon nanomaterials"
0109U001426
Researcher
Harkivs'kij nacional'nij universitet imeni V N Karazina Himicnij fakul'tet, Ukraine
Harkivs'kij nacional'nij universitet imeni V N Karazina
Concluded
2007 - 2008 Pico- and nanosized processes in ionic liquids and ion-molecular systems as the basis for novel functional materials
0109U001212
Researcher
Harkivs'kij nacional'nij universitet imeni V N Karazina Himicnij fakul'tet, Ukraine
Ukrainian National Fund For Fundamental Research
Concluded

Other

Designation Funders
2016/03/01 - 2016/03/31 MD simulations of ionic liquids mixtures at charged interfaces
COST-STSM-CM1206-32777
Principal investigator
Tartu Ülikool, Estonia

Universidade do Porto Centro de Investigação em Química, Portugal

REQUIMTE LAQV Porto, Portugal
European Cooperation in Science and Technology
Concluded
Outputs

Publications

Book
  1. Iuliia V. Voroshylova; Chaban, Vitaly V.. Ionic Liquids Shape Future in Electrochemistry. GlobeEdit. 2015.
    Published
Book chapter
  1. Voroshylova, Iuliia V.; Ferreira, Elisabete S.C.; Cordeiro, M. Natália D.S.. "Electrical double layer in ionic liquids and deep eutectic solvents". In Encyclopedia of Solid-Liquid Interfaces, edited by Klaus Wandelt; Gianlorenzo Bussetti, 29-39. Elsevier, 2024.
    Published • https://doi.org/10.1016/B978-0-323-85669-0.00028-3
  2. Voroshylova, Iuliia V.; Ferreira, Elisabete S.C.; Koverga, Volodymyr A.; Pereira, Carlos M.; Cordeiro, M. Natália D.S.. "Structure and noncovalent interactions in ionic liquids mixtures and deep eutectic solvents". In Theoretical and Computational Approaches to Predicting Ionic Liquid Properties, edited by Aswathy Joseph; Suresh Mathew, 105-157. Elsevier, 2021.
    10.1016/b978-0-12-820280-7.00013-9
  3. Riabchunova, Anastasiia V.; Iuliia V. Voroshylova; Chaban, Vitaly V.; Marekha, Bogdan A.; Koverga, Volodymyr A.; Idrissi, Abdenacer. "Transport Properties and Ion Aggregation in Mixtures of Room Temperature Ionic Liquids with Aprotic Dipolar Solvents". In Modern Problems of Molecular Physics, edited by Bulavin, L.; Chalyi, A., 67-109. Springer International Publishing, 2018.
    Published • 10.1007/978-3-319-61109-9_5
Conference abstract
  1. Ers, Heigo; Liis SIINOR; Iuliia V. Voroshylova; IVANISTSEV, VLADISLAV; Enn Lust; Pikma, Piret. "Adsorption and structuring processes at single-crystal electrode | ionic liquid interface – insights from simulations and in situ studies". Paper presented in 8th Baltic Electrochemistry Conference: Finding New Inspiration 2 (BEChem 2024), Tartu, 2024.
    Published
  2. IVANISTSEV, VLADISLAV; Lembinen, Meeri; Ers, Heigo; Karu, Karl; Enn Lust; Iuliia V. Voroshylova. "Ionic liquid–electrode interface: from quantum capacitance to charge transfer". Paper presented in 8th Baltic Electrochemistry Conference: Finding New Inspiration 2 (BEChem 2024), Tartu, 2024.
    Published
  3. Iuliia V. Voroshylova; IVANISTSEV, VLADISLAV; Cordeiro, M. Natalia D. S.. "Charge Screening at Ionic Liquid-Electrode Interfaces, O07". Paper presented in 29th EUCHEMS Conference on Molten Salts and Ionic Liquids, Euchemsil-2024, Santiago de Compostela, 2024.
    Published
  4. IVANISTSEV, VLADISLAV; Lembinen, Meeri; Ers, Heigo; Karl Karu; Enn Lust; Iuliia V. Voroshylova. "Ionic liquid–electrode interface: partial charge transfer, surface dipole, and quantum capacitance". Paper presented in 29th EUCHEMS Conference on Molten Salts and Ionic Liquids, Euchemsil-2024, Santiago de Compostela, 2024.
    Published
  5. Ivaništšev, Vladislav B.; Ers, Heigo; Ritums Cepitis; Iuliia V. Voroshylova. Corresponding author: Ivaništšev, Vladislav B.. "O_A1.1 - Electrical double layer in ionic liquids: structures, potentials, and applications". Paper presented in ILMAT2023 | 7th International Conference on Ionic Liquid-Based Materials, Porto, 2023.
    Published
  6. Iuliia V. Voroshylova; Ers, Heigo; Ivani¿t¿ev, Vladislav B.; Cordeiro, M. Natalia D. S.. Corresponding author: Iuliia V. Voroshylova. "O_B1.4 - Molecular dynamics simulation of surface charge screening in Ionic liquids mixtures: competition of ions". Paper presented in ILMAT2023 | 7th International Conference on Ionic Liquid-Based Materials - 21st - 24th November 2023, Porto, 2023.
    Published
  7. Iuliia V. Voroshylova; Ers, Heigo; Ivani¿t¿ev, Vladislav B.; Cordeiro, M. Natalia D. S.. Corresponding author: Iuliia V. Voroshylova. "Molecular dynamics simulation of surface charge screening in Ionic liquids mixtures: competition of ions". Paper presented in ILMAT2023 | 7th International Conference on Ionic Liquid-Based Materials - 21st - 24th November 2023, Porto, 2023.
    Published
  8. Rebelo, Patrícia; João G. Pacheco; Iuliia V. Voroshylova; Isabel Seguro; Melo, André; Cordeiro, M. Natalia D. S.; Cristina Delerue-Matos. "Molecularly imprinted sensors for electrochemical analysis of pharmaceuticals in environmental waters.". Paper presented in The 3rd edition of the Sensors Technologies International conference - Sensors 2023, Albufeira, 2023.
    Published
  9. Iuliia V. Voroshylova; Heigo Ers; Piret Pikma; Vladislav B. Ivaništšev. "Computational study of the influence of temperature on EMImBF 4 – graphene interface: explanation in the framework of bilayer model". Paper presented in YOUNG MULTIS 2023 - Multiscale Phenomena in Condensed Matter online conference for young researchers (online), Cracow, 2023.
    Published
  10. Andreia da Palma Fonseca; Figueiredo, Nádia; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. "Greenhouse gases solubility by magnetic ionic liquids: MD simulation study". Paper presented in 8th Portuguese Young Chemists Meeting, 8PyCheM, Vila Real, 2023.
    Published
  11. Andreia da Palma Fonseca; Figueiredo, Nádia; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. Corresponding author: Cordeiro, M. Natalia D. S.. "P15 - Greenhouse gases solubility by magnetic ionic liquids: MD simulation study". Paper presented in 8th Portuguese Young Chemists Meeting, 8PyCheM, Vila Real, 2023.
    Published
  12. Andreia da Palma Fonseca; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. "C2 - Computational study of ionic liquids with metal-based anions for gas separation/absorption". Paper presented in XV Seminário Científico do Mestrado em Química, Porto, 2023.
    Published
  13. Andreia da Palma Fonseca; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. Corresponding author: Cordeiro, M. Natalia D. S.. "Computational study of ionic liquids with metal-based anions for gas separation/absorption". Paper presented in XV Seminário Científico do Mestrado em Química, Porto, 2023.
    Published
  14. Heigo Ers; Iuliia V. Voroshylova; Liis SIINOR; Pikma, Piret; Ivaništšev, Vladislav. "Electrode | Ionic liquid interface – insights of capacitance-structure dependence from simulations and bilayer model". Paper presented in Congress on Ionic Liquids - COIL9, Lyon, 2023.
    Published
  15. Ivaništšev, Vladislav; Iuliia V. Voroshylova; Kaija POHAKO-ESKO; Xueran Tao; Ers, Heigo. "Electrode | ionic liquid interfaces – from packing of counter-ions to potentials of saturation charge". Paper presented in Congress on Ionic Liquids - COIL9, Lyon, 2023.
    Published
  16. Andeia da Palma Fonseca; Figueiredo, Nádia; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. "20810 | Atomistic MD simulations of adsorption of greenhouse gases in magnetic ionic liquids". Paper presented in Investigação Jovem da U.Porto, IJUP-2023, 16ª edição, Porto, 2023.
    Published
  17. Andeia da Palma Fonseca; Figueiredo, Nádia; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. Corresponding author: Cordeiro, M. Natalia D. S.. "Atomistic MD simulations of adsorption of greenhouse gases in magnetic ionic liquids". Paper presented in Investigação Jovem da U.Porto, IJUP-2023, 16ª edição, Porto, 2023.
    Published
  18. Iuliia V. Voroshylova; Ers, Heigo; Borja Docampo-Álvarez; Piret Pikma; Vladislav B. Ivaništšev; Cordeiro, M. Natalia D. S.. "QT01 - Interface between BmimPF6 ionic liquid and gold metal surface from MD simulations perspective". Paper presented in XXVI Encontro galego-português de química, Santiago de Compostela, 2022.
    Published
  19. Iuliia V. Voroshylova; Elisabete S. C. Ferreira; Figueiredo, Nádia; Cordeiro, M. Natalia D. S.. "Pag.015 - Comparison of non-covalent interactions in ionic liquids mixtures and deep eutectic solvents: molecular dynamics study". Paper presented in 5TH INTERNATIONAL CONFERENCE ON GREEN CHEMISTRY AND SUSTAINABLE ENGINEERING (GreenCHEM-22), Rome, 2022.
    Published
  20. Elisabete S. C. Ferreira; Iuliia V. Voroshylova; Figueiredo, Nádia; Cordeiro, M. Natalia D. S.. "Pag.005 - Alcohol-based Ionic Liquid Analogues: A Molecular Dynamics Study". Paper presented in 5th International Conference on Green Chemistry and Sustainable Engineering (GreenChem-22), Rome, 2022.
    Published
  21. Iuliia V. Voroshylova; Elisabete S. C. Ferreira; Figueiredo, Nádia; Cordeiro, M. Natalia D. S.. "Comparison of non-covalent interactions in ionic liquids mixtures and deep eutectic solvents: molecular dynamics study". Paper presented in 5TH INTERNATIONAL CONFERENCE ON GREEN CHEMISTRY AND SUSTAINABLE ENGINEERING (GreenCHEM-22), Rome, 2022.
    Published
  22. Alex Himmel; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. "SISEs for safe and high-energy batteries". Paper presented in XIV Seminário Científico do Mestrado em Química, Porto, 2022.
    Published
  23. Ers, Heigo; Iuliia V. Voroshylova; Piret Pikma; Ivaništšev, Vladislav B.. "L02-1958 - Relating the Ambient Temperature and Ionic Liquid Structure to the Changes of Capacitance Using Molecular Dynamics". Paper presented in 241th ECS Meeting, 29 May - 2 June 2022, Vancouver, 2022.
    Published
  24. Iuliia V. Voroshylova; Elisabete S. C. Ferreira; Koverga, Volodymyr A.; Figueiredo, Nádia M.; Carlos M. Pereira; Cordeiro, M. Natalia D. S.. "MD study of hydrogen bonding and structure in alternative solvents: ionic liquids mixtures vs. deep eutectic solvents". Paper presented in 5th European Conference on Green and Sustainable Chemistry - Virtual Conference, Thessaloniki, 2021.
    Published
  25. Elisabete S. C. Ferreira; Iuliia V. Voroshylova; Koverga, Volodymyr A.; Figueiredo, Nádia; Carlos M. Pereira; Cordeiro, M. Natalia D. S.. "Structure and noncovalent interactions in glycol-based deep eutectic solvents". Paper presented in 5th European Conference on Green and Sustainable Chemistry - Virtual Conference, Thessaloniki, 2021.
    Published
  26. Patrícia Rebelo; João G. Pacheco; Iuliia V. Voroshylova; André Melo; M. Natália D.S. Cordeiro; Cristina Delerue-Matos. "PP 14 Evento Virtual / Online Meeting MOLECULARLY IMPRINTED POLYMER-BASED ELECTROCHEMICAL SENSORS FOR THE DETECTION OF ANTIBIOTICS IN THE ENVIRONMENT". Paper presented in ANALÍTICA 2020, 10º Encontro da Divisão de Química Analítica, Lisboa, 2020.
    Published
  27. Miguel Jorge; Hantal, György; Cordeiro, M. Natália D. S.; Iuliia V. Voroshylova; Sega, Marcello; Kantorovich, Sofia; Christian Schröder. "Intrinsic Analysis of Fluid Interfaces Involving Ionic Liquids". Paper presented in 2018 AIChE Annual Meeting - AIChE + Chemical Engineering: Today, Tomorrow & Leading the Future, Pittsburgh, 2018.
    Published
  28. Iuliia V. Voroshylova; Elisabete S. C. Ferreira; Michal Malcek; Renata B. Costa; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "Influence of the anion on ionic liquids mixtures properties: A molecular dynamics study". Paper presented in 2nd Advances in Green Chemistry Conference, Poznan, 2018.
    Published
  29. Nádia M. Figueiredo; Iuliia V. Voroshylova; Volodymyr A. Koverga; Cordeiro, M. Natália D. S.. "Theoretical study of the addition of solvents to ionic liquids". Paper presented in 2nd Advances in Green Chemistry Conference, Poznan, 2018.
    Published
  30. Kalugin, Oleg N.; Marekha, Bogdan A.; Iuliia V. Voroshylova; Chaban, Vitaly V.; Riabchunova, Anastasiia V.; Lukinova, Elena V.; Idrissi, Abdenacer; Ashok K. Adya. "Structure and dynamics of the binary systems based on imidazolium room temperature ionic liquids with polar solvents". Paper presented in EMLG - JMLG annual meeting 2013 "Global Perspectives on the Structure and Dynamics of Liquids and Mixtures: Experiment and Simulation", Lille, 2013.
    Published
  31. Iuliia V. Voroshylova; Chaban, Vitaly V.; Oleg N. Kalugin. "MSP 39 P Transport properties and ionic clusters in mixtures of imidazolium-based ionic liquids with acetonitrele by means of molecular dynamics simulations". Paper presented in Materials Science and Condensed Matter Physics Conference, Chisinau, 2012.
    Published
  32. Riabchunova, Anastasiia V.; Iuliia V. Voroshylova; Lukinova, Elena V.; Kalugin, Oleg N.. "MSP 40 P Electric conductivity of binary mixtures based on acetonitrile and ionic liquids". Paper presented in Materials Science and Condensed Matter Physics Conference, Chisinau, 2012.
    Published
  33. Chaban, Vitaly V.; Iuliia V. Voroshylova; Oleg N. Kalugin; Ashok K. Adya. "The New Non-Polarizable Force Field Model of Imidazolium-Based Ionic Liquids". Paper presented in 218th ECS Meeting, Las Vegas, 2010.
    Published
Conference paper
  1. Heigo Ers; Iuliia Voroshylova; Piret Pikma; Vladislav Ivanistsev. "Relating the Ambient Temperature and Ionic Liquid Structure to the Changes of Capacitance Using Molecular Dynamics". Paper presented in 241st ECS Meeting, Vancouver, 2022.
    Published • 10.1149/MA2022-01461958mtgabs
  2. Chaban, Vitaly; Iuliia V. Voroshylova; Kalugin, Oleg. "The Phenomenological Account for Electronic Polarization in Ionic Liquid". Paper presented in 218th ECS Meeting, 2011.
    Published • 10.1149/1.3563089
Conference poster
  1. IVANISTSEV, VLADISLAV; Lembinen, Meeri; Ers, Heigo; Karu, Karl; Enn Lust; Iuliia V. Voroshylova. "Ionic liquid–electrode interface: from quantum capacitance to charge transfer". Paper presented in 8th Baltic Electrochemistry Conference: Finding New Inspiration 2 (BEChem 2024), 2024.
  2. Iuliia V. Voroshylova; Karu, Karl; Ers, Heigo; Ivaništšev, Vladislav B.. "From Saturation Parameters to Self-Consistent Bilayer Model of the Ionic Liquid – Electrode Interfaces". Paper presented in 74th Annual Meeting of the International Society of Electrochemistry, ISE-74, 2023.
  3. Andreia da Palma Fonseca; Figueiredo, Nádia; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. "P15 - GREENHOUSE GASES SOLUBILITY BY MAGNETIC IONIC LIQUIDS: MD SIMULATION STUDY". Paper presented in 8th Portuguese Young Chemists Meeting, 8PyCheM, 2023.
  4. Andreia da Palma Fonseca; Figueiredo, Nádia; Iuliia V. Voroshylova; Cordeiro, M. Natalia D. S.. "Force field validation methods for molecular dynamics simulations of phosphonium-based magnetic ionic liquids". Paper presented in Encontro Nacional de Estudantes de Química, ENEQUI-2023, 2023.
  5. Rebelo, Patrícia; João Pacheco; Iuliia V. Voroshylova; Melo, André; Cordeiro, M. Natalia D. S.; delerue-matos, C. "Rational development of molecular imprinted carbon paste electrode for Furazolidone detection: theoretical and experimental approach". Paper presented in XXIV Meeting of the Portuguese Electrochemical Society, 2021.
  6. Elisabete S. C. Ferreira; Iuliia V. Voroshylova; Koverga, Volodymyr A.; Figueiredo, Nádia M.; Carlos M. Pereira; Cordeiro, M. Natalia D. S.. "Structure and noncovalent interactions in glycol-based deep eutectic solvents". Paper presented in 5th EuChemS Conference on Green and Sustainable Chemistry, 2021.
  7. Iuliia V. Voroshylova; Ers, Heigo; Borja Docampo-Álvarez; Piret Pikma; Vladislav B. Ivaništšev; Cordeiro, M. Natalia D. S.. "Capacitance Hysteresis in MD Simulations of BMImPF6|Au(111) Interface - s20-015". Paper presented in 72nd Annual Meeting of International Society of Electrochemistry, 2021.
  8. Patrícia Rebelo; João Pacheco; Iuliia V. Voroshylova; M. Natália D.S. Cordeiro; Cristina Delerue-Matos. "Computational modelling and experimental synthesis of a highly sensitive electrochemical MIP-based sensor for citalopram detection in environmental waters". Paper presented in 31st Anniversary World Congress on Biosensors, 2021.
  9. Patrícia Rebelo; João G. Pacheco; Iuliia V. Voroshylova; André Melo; M. Natália D.S. Cordeiro; Cristina Delerue-Matos. "MOLECULARLY IMPRINTED POLYMER-BASED ELECTROCHEMICAL SENSORS FOR THE DETECTION OF ANTIBIOTICS IN THE ENVIRONMENT". Paper presented in ANALÍTICA 2020, 10º Encontro da Divisão de Química Analítica, 2020.
  10. Iuliia V. Voroshylova; Heigo Ers; Vladislav B. Ivaništšev; Carlos M. Pereira; Cordeiro, M. Natalia D. S.. "Reliable Differential Capacitance from Computer Simulation of Ionic Liquid Confined Between Charged Electrodes". Paper presented in 71st Annual Meeting of the International Society of Electrochemistry – BelgradeOnline, 2020.
  11. Iuliia V. Voroshylova; Lembinen, Meeri; Heigo Ers; Vladislav B. Ivaništšev; Carlos M. Pereira; Cordeiro, M. Natalia D. S.. "Molecular Dynamics Simulation of Ionic Liquid at Electrified Interface: Impact of Electrode Surface Crystallography". Paper presented in 71st Annual Meeting of the International Society of Electrochemistry – BelgradeOnline, 2020.
  12. Elisabete S. C. Ferreira; Iuliia V. Voroshylova; Nádia M. Figueiredo; Carlos M. Pereira; Cordeiro, M. Natália D.S.. Corresponding author: Elisabete S. C. Ferreira. "Computational and experimental study of propeline: a choline chloride based deep eutectic solvent". Paper presented in 4th EUCheMS conference on Green and Sustainable Chemistry, 2019.
  13. Nádia Martins Figueiredo; Iuliia V. Voroshylova; Cordeiro, M. Natália D. S.. "Theoretical study of the addition of solvents to ionic liquids". Paper presented in 2nd Advances in Green Chemistry Conference, AGChem 2018, 2018.
  14. Iuliia V. Voroshylova; Mišin, M.; Ivaništšev, Vladislav B.; Lembinen, Meeri; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "Computer simulations for estimating of differential capacitance in ionic liquids". Paper presented in CECAM-AT workshop "Physics and Chemistry at Fluid/Fluid Interfaces", 2017.
  15. Iuliia V. Voroshylova; Elisabete S. C. Ferreira; André Melo; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "Binary mixtures of ionic liquids with a common anion: a molecular dynamics study". Paper presented in 11th Triennial Congress of the World Association of Theoretical and Computational Chemists, WATOC - 2017, 2017.
  16. Carlos M. Pereira; Renata B. Costa; Iuliia V. Voroshylova; Cordeiro, M. Natália D. S.; António Fernando Silva. "Boosting energy storage efficiency by using ionic liquids mixtures - experimental and theoretical insight". Paper presented in 68th Annual Meeting of the International Society of Electrochemistry, ISE - 2017, 2017.
  17. Elisabete S. C. Ferreira; Iuliia V. Voroshylova; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "New force field model for propylene glycol: insight to local structure and dynamics". Paper presented in 10th Liquid Matter Conference, Liquids - 2017, 2017.
  18. Iuliia V. Voroshylova; M. Mišin; V. Ivaništšev; Lembinen, Meeri; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "Estimating differential capacitance of the electric double layer in ionic liquids using computer simulations". Paper presented in 10th Liquid Matter Conference, Liquids - 2017, 2017.
  19. Iuliia V. Voroshylova; Ivaništšev, Vladislav B.; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "Ionic liquids on charged interfaces: molecular dynamics simulation". Paper presented in ILWS2017 Winter School on Ionic Liquids, 2017.
  20. Elisabete S. C. Ferreira; Iuliia V. Voroshylova; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "Molecular dynamics of ethaline: reliable physico-chemical properties". Paper presented in 26th EUCHEM Conference on Molten Salts and Ionic Liquids, EUCHEM - 2016, 2016.
  21. Iuliia V. Voroshylova; Filipe Teixeira; Renata B. Costa; Carlos M. Pereira; Cordeiro, M. Natália D. S.. "INTERACTIONS IN THE IONIC LIQUID [EMIM][FAP]: A COUPLED EXPERIMENTAL AND COMPUTATIONAL ANALYSIS". Paper presented in CCP5 - Summer School 2015, 2015.
  22. Riabchunova, Anastasiia V.; Iuliia V. Voroshylova; Lukinova, Elena V.; Kalugin, Oleg N.. "Electric Conductivity of Binary mixtures Based on acetonitrile and ionic liquids". Paper presented in 6th International conference on material science and condensed matter physics, 2012.
  23. Iuliia V. Voroshylova; Chaban, Vitaly V.; Kalugin, Oleg N.. "Transport properties and ionic clusters in mixtures of imidazolium-based ionic liquids with acetonitrele by means of molecular dynamics simulations". Paper presented in 6th International conference on material science and condensed matter physics, 2012.
  24. Iuliia V. Voroshylova; Chaban, Vitaly V.; Kalugin, Oleg N.. "The new force field model for imidazolium based ionic liquids. Poster ID: P 52". Paper presented in 28th EMLG-JMLG Annual Meeting 2010, "Complex liquids: modern trends in exploration, understanding and application", 2010.
  25. Iuliia V. Voroshylova; Kalugin, Oleg N.. "Microscopic structure and ion dynamics in 1-ethyl-3methyl-imidazolium tetrafluoroborate and 1-buthyl-3methyl-imidazolium tetrafluoroborate room temperature ionic liquids". Paper presented in Vth scientific international conference in chemistry "Kiev-Toulouse", 2009.
  26. Lukinova, Elena V.; Usina, J. V.; Kalugin, Oleg N.. "Problems of interpretation of conductance of Bu4NBr in acetonitrile in the range of moderate and high concentrations". Paper presented in XVI International Conference on chemical thermodynamics in Russia, RCCT-2007, 2007.
  27. Lukinova, Elena V.; Usina, Y. V.; Kalugin, Oleg N.. "Conductivity and interparticle interactions in solution of Bu4NBr in acetonitrile”, International Conference". Paper presented in Modern Physical Chemistry for Advanced Materials, MPC-07, 2007.
Journal article
  1. Eudes Eterno Fileti; Iuliia V. Voroshylova; Elisabete S.C. Ferreira; M. Natália D.S. Cordeiro; Thaciana Malaspina. "Ab initio molecular dynamics study of hydroxyl positioning in butanediol and its impact on deep eutectic solvent structure". Journal of Molecular Liquids (2024): https://doi.org/10.1016/j.molliq.2024.125548.
    10.1016/j.molliq.2024.125548
  2. Elisabete S.C. Ferreira; Iuliia V. Voroshylova; M.Natália D.S. Cordeiro; Ferreira, E.S.C.; Voroshylova, I.V.; Cordeiro, N.M.D.S.. "Probing the interface of choline chloride-based deep eutectic solvent ethaline with gold surfaces: A molecular dynamics simulation study". Surfaces and Interfaces (2024): https://doi.org/10.1016/j.surfin.2024.104051.
    10.1016/j.surfin.2024.104051
  3. Figueiredo, Nádia; Iuliia V. Voroshylova; Elisabete S. C. Ferreira; Jorge Manuel Campos Marques; Cordeiro, M. Natalia D. S.. "Magnetic Ionic Liquids: Current Achievements and Future Perspectives with a Focus on Computational Approaches". Chemical Reviews (2024): https://doi.org/10.1021/acs.chemrev.3c00678.
    Accepted • 10.1021/acs.chemrev.3c00678
  4. Thaciana Malaspina; Iuliia V. Voroshylova; M. Natália D.S. Cordeiro; Eudes Eterno Fileti. "Probing the local structures of Choline-Glycine Electrolytes: Insights from ab initio simulations". Journal of Molecular Liquids (2023): https://doi.org/10.1016/j.molliq.2023.122946.
    10.1016/j.molliq.2023.122946
  5. Ers, Heigo; Voroshylova, Iuliia V.; Pikma, Piret; Ivaništšev, Vladislav B.. "Double layer in ionic liquids: Temperature effect and bilayer model". Journal of Molecular Liquids 363 (2022): 119747. http://dx.doi.org/10.1016/j.molliq.2022.119747.
    Published • 10.1016/j.molliq.2022.119747
  6. Amit Kumar Halder; Reza Haghbakhsh; Iuliia V. Voroshylova; Ana Rita C. Duarte; Maria Natalia D. S. Cordeiro. "Predicting the Surface Tension of Deep Eutectic Solvents: A Step Forward in the Use of Greener Solvents". Molecules (2022): https://doi.org/10.3390/molecules27154896.
    10.3390/molecules27154896
  7. Patrícia Rebelo; João G. Pacheco; Iuliia V. Voroshylova; Isabel Seguro; Maria Natália D. S. Cordeiro; Cristina Delerue-Matos. "Computational Modelling and Sustainable Synthesis of a Highly Selective Electrochemical MIP-Based Sensor for Citalopram Detection". Molecules 27 10 (2022): 3315. https://doi.org/10.3390/molecules27103315.
    Open access • Published • 10.3390/molecules27103315
  8. Patrícia Rebelo; João G. Pacheco; Iuliia V. Voroshylova; André Melo; M. Natália D.S. Cordeiro; Cristina Delerue-Matos. "A simple electrochemical detection of atorvastatin based on disposable screen-printed carbon electrodes modified by molecularly imprinted polymer: Experiment and simulation". Analytica Chimica Acta (2022): https://doi.org/10.1016/j.aca.2021.339410.
    10.1016/j.aca.2021.339410
  9. Vitaly V. Chaban; Nadezhda A. Andreeva; Iuliia V. Voroshylova. "Ammonium-, phosphonium- and sulfonium-based 2-cyanopyrrolidine ionic liquids for carbon dioxide fixation". Physical Chemistry Chemical Physics (2022): https://doi.org/10.1039/D2CP00177B.
    10.1039/D2CP00177B
  10. Amit Kumar Halder; Reza Haghbakhsh; Iuliia V. Voroshylova; Ana Rita C. Duarte; M. Natalia D. S. Cordeiro. "Density of Deep Eutectic Solvents: The Path Forward Cheminformatics-Driven Reliable Predictions for Mixtures". Molecules (2021): https://doi.org/10.3390/molecules26195779.
    10.3390/molecules26195779
  11. Patrícia Rebelo; João G. Pacheco; Iuliia V. Voroshylova; M. Natália D.S. Cordeiro; Cristina Delerue-Matos. "Development of a molecular imprinted electrochemiluminescence sensor for amitriptyline detection: from MD simulations to experimental implementation". Electrochimica Acta (2021): 139273-139273. https://doi.org/10.1016/j.electacta.2021.139273.
    10.1016/j.electacta.2021.139273
  12. Elisabete S. C. Ferreira; Iuliia V. Voroshylova; Nádia M. Figueiredo; M. Natália D. S. Cordeiro. "Molecular dynamic study of alcohol-based deep eutectic solvents". The Journal of Chemical Physics (2021): https://doi.org/10.1063/5.0058561.
    10.1063/5.0058561
  13. Iuliia V. Voroshylova; Heigo Ers; Volodymyr A. Koverga; Borja Docampo-Álvarez; Piret Pikma; Vladislav B. Ivaništšev; M. Natália D.S. Cordeiro. "Ionic liquid-metal interface: the origins of capacitance peaks". Electrochimica Acta (2021): https://doi.org/10.1016/j.electacta.2021.138148.
    Published • 10.1016/j.electacta.2021.138148
  14. Iuliia V. Voroshylova; Heigo Ers; Borja Docampo-Álvarez; Piret Pikma; Vladislav B. Ivaništšev; M. Natália D.S. Cordeiro. "Hysteresis in the MD Simulations of Differential Capacitance at the Ionic Liquid–Au Interface". The Journal of Physical Chemistry Letters (2020): https://doi.org/10.1021/acs.jpclett.0c03212.
    10.1021/acs.jpclett.0c03212
  15. Iuliia V. Voroshylova. "Rational development of molecular imprinted carbon paste electrode for Furazolidone detection: theoretical and experimental approach". Sensors and Actuators B: Chemical (2020): 129112-129112. http://dx.doi.org/10.1016/j.snb.2020.129112.
    10.1016/j.snb.2020.129112
  16. Ferreira, E.S.C.; Voroshylova, I.V.; Figueiredo, N.M.; Pereira, C.M.; Cordeiro, M.N.D.S.; Ferreira, Elisabete S.C.; Iuliia V. Voroshylova; et al. "Computational and experimental study of propeline: A choline chloride based deep eutectic solvent". Journal of Molecular Liquids 298 (2020): 111978. http://www.scopus.com/inward/record.url?eid=2-s2.0-85075344735&partnerID=MN8TOARS.
    Published • 10.1016/j.molliq.2019.111978
  17. Figueiredo, Nádia M.; Iuliia V. Voroshylova; Koverga, Volodymyr A.; Ferreira, Elisabete S.C.; Cordeiro, M. Natália D.S.. "Influence of alcohols on the inter-ion interactions in ionic liquids: A molecular dynamics study". Journal of Molecular Liquids 294 (2019): 111538. http://dx.doi.org/10.1016/j.molliq.2019.111538.
    Published • 10.1016/j.molliq.2019.111538
  18. Iuliia V. Voroshylova; Lembinen, Meeri; Ers, Heigo; Mišin, Maksim; Koverga, Volodymyr A.; Pereira, Carlos M.; Ivaništšev, Vladislav B.; Cordeiro, M. Natália D.S.. "On the role of the surface charge plane position at Au(hkl)–BMImPF6 interfaces". Electrochimica Acta 318 (2019): 76-82. http://dx.doi.org/10.1016/j.electacta.2019.05.058.
    Published • 10.1016/j.electacta.2019.05.058
  19. Koverga, V.A.; Voroshylova, I.V.; Smortsova, Y.; Miannay, F.-A.; Cordeiro, M.N.D.S.; Idrissi, A.; Kalugin, O.N.. "Local structure and hydrogen bonding in liquid ¿-butyrolactone and propylene carbonate: A molecular dynamics simulation". Journal of Molecular Liquids 287 (2019): http://www.scopus.com/inward/record.url?eid=2-s2.0-85065918336&partnerID=MN8TOARS.
    10.1016/j.molliq.2019.110912
  20. Roos Nerut, Eva; Karu, Karl; Iuliia V. Voroshylova; Kirchner, Kathleen; Kirchner, Tom; Fedorov, Maxim; Ivaništšev, Vladislav. "NaRIBaS—A Scripting Framework for Computational Modeling of Nanomaterials and Room Temperature Ionic Liquids in Bulk and Slab". Computation 6 4 (2018): 57. http://dx.doi.org/10.3390/computation6040057.
    Open access • Published • 10.3390/computation6040057
  21. Ruzanov, A.; Lembinen, M.; Jakovits, P.; Srirama, S.N.; Voroshylova, I.V.; Cordeiro, M.N.D.S.; Pereira, C.M.; Rossmeisl, J.; Ivaništšev, V.B.. "On the thickness of the double layer in ionic liquids". Physical Chemistry Chemical Physics 20 15 (2018): 10275-10285. http://www.scopus.com/inward/record.url?eid=2-s2.0-85045849666&partnerID=MN8TOARS.
    10.1039/c7cp07939g
  22. Voroshylova, I.V.; Ferreira, E.S.C.; Malcek, M.; Costa, R.; Pereira, C.M.; Cordeiro, M.N.D.S.. "Influence of the anion on the properties of ionic liquid mixtures: A molecular dynamics study". Physical Chemistry Chemical Physics 20 21 (2018): 14899-14918. http://www.scopus.com/inward/record.url?eid=2-s2.0-85048005993&partnerID=MN8TOARS.
    10.1039/c8cp01541d
  23. Costa, R.; Voroshylova, I.V.; Cordeiro, M.N.D.S.; Pereira, C.M.; Silva, A.F.. "Enhancement of differential double layer capacitance and charge accumulation by tuning the composition of ionic liquids mixtures". Electrochimica Acta 261 (2018): 214-220. http://www.scopus.com/inward/record.url?eid=2-s2.0-85039424279&partnerID=MN8TOARS.
    10.1016/j.electacta.2017.12.134
  24. Ferreira, E.S.C.; Voroshylova, I.V.; Koverga, V.A.; Pereira, C.M.; Cordeiro, M.N.D.S.. "New Force Field Model for Propylene Glycol: Insight to Local Structure and Dynamics". Journal of Physical Chemistry B 121 48 (2017): 10906-10921. http://www.scopus.com/inward/record.url?eid=2-s2.0-85037748152&partnerID=MN8TOARS.
    10.1021/acs.jpcb.7b08251
  25. Voroshylova, I.V.; Teixeira, F.; Costa, R.; Pereira, C.M.; Cordeiro, M.N.D.S.. "Interactions in the ionic liquid [EMIM][FAP]: A coupled experimental and computational analysis". Physical Chemistry Chemical Physics 18 4 (2016): 2617-2628. http://www.scopus.com/inward/record.url?eid=2-s2.0-84955493957&partnerID=MN8TOARS.
    10.1039/c5cp06027c
  26. Ferreira, E.S.C.; Voroshylova, I.V.; Pereira, C.M.; Cordeiro, M.N.D.S.. "Improved force field model for the deep eutectic solvent ethaline: Reliable physicochemical properties". Journal of Physical Chemistry B 120 38 (2016): 10124-10137. http://www.scopus.com/inward/record.url?eid=2-s2.0-85017369195&partnerID=MN8TOARS.
    10.1021/acs.jpcb.6b07233
  27. Voroshylova, I.V.; Smaga, S.R.; Lukinova, E.V.; Chaban, V.V.; Kalugin, O.N.. "Conductivity and association of imidazolium and pyridinium based ionic liquids in methanol". Journal of Molecular Liquids 203 (2015): 7-15. http://www.scopus.com/inward/record.url?eid=2-s2.0-84920096773&partnerID=MN8TOARS.
    10.1016/j.molliq.2014.12.028
  28. Chaban, V.V.; Voroshylova, I.V.. "Systematic refinement of canongia lopes-pádua force field for pyrrolidinium-based ionic liquids". Journal of Physical Chemistry B 119 20 (2015): 6242-6249. http://www.scopus.com/inward/record.url?eid=2-s2.0-84930203993&partnerID=MN8TOARS.
    10.1021/jp5122678
  29. Voroshylova, I.V.; Chaban, V.V.. "Atomistic force field for pyridinium-based ionic liquids: Reliable transport properties". Journal of Physical Chemistry B 118 36 (2014): 10716-10724. http://www.scopus.com/inward/record.url?eid=2-s2.0-84910057643&partnerID=MN8TOARS.
    10.1021/jp5054875
  30. Kalugin, O.N.; Voroshylova, I.V.; Riabchunova, A.V.; Lukinova, E.V.; Chaban, V.V.. "Conductometric study of binary systems based on ionic liquids and acetonitrile in a wide concentration range". Electrochimica Acta 105 (2013): 188-199. http://www.scopus.com/inward/record.url?eid=2-s2.0-84878311330&partnerID=MN8TOARS.
    10.1016/j.electacta.2013.04.140
  31. Hantal, G.; Voroshylova, I.; Cordeiro, M.N.D.S.; Jorge, M.. "A systematic molecular simulation study of ionic liquid surfaces using intrinsic analysis methods". Physical Chemistry Chemical Physics 14 15 (2012): 5200-5213. http://www.scopus.com/inward/record.url?eid=2-s2.0-84858973681&partnerID=MN8TOARS.
    10.1039/c2cp23967a
  32. Chaban, V.V.; Voroshylova, I.V.; Kalugin, O.N.; Prezhdo, O.V.. "Acetonitrile boosts conductivity of imidazolium ionic liquids". Journal of Physical Chemistry B 116 26 (2012): 7719-7727. http://www.scopus.com/inward/record.url?eid=2-s2.0-84863612319&partnerID=MN8TOARS.
    10.1021/jp3034825
  33. Kalugin, Oleg N.; Iuliia V. Voroshylova; Riabchunova, Anastasiia V.; Lukinova, Elena V.; Chaban, Vitaly V.. "Marcoscopic properties and microscopic structure of binary systems based on ionic liquids and acetonitrile". Voprosy Khimii i Khimicheskoi Tekhnologii (Issues of Chemistry and Chemical Technology) 4 1 (2011): 220-222.
    Open access • Published
  34. Chaban, V.V.; Voroshylova, I.V.; Kalugin, O.N.. "A new force field model for the simulation of transport properties of imidazolium-based ionic liquids". Physical Chemistry Chemical Physics 13 17 (2011): 7910-7920. http://www.scopus.com/inward/record.url?eid=2-s2.0-79956044480&partnerID=MN8TOARS.
    10.1039/c0cp02778b
  35. Iuliia V. Voroshylova; Dakhova, K. O.; Chaban, Vitaly V.; Kalugin, Oleg N.. "Conductivity and association of imidazolium and piridinium ionic liquids in acetonitrile". Kharkov University Bulletin Chemical Series 895 18(41) (2010): 159-163. http://chembull.univer.kharkov.ua/archiv/2010/19.pdf.
    Published
  36. Iuliia V. Voroshylova; Dakhova, K. O.; Kalugin, Oleg N.. "Electrolytes for chemical current sources based on ionic liquids: 1-butyl-3-methylimidazolium bromide solutions in acetonitrile". Kharkov University Bulletin Chemical Series 870 17(40) (2009): 185-188. http://chembull.univer.kharkov.ua/archiv/2009/17.pdf.
    Published
  37. Iuliia V. Voroshylova; Kalugin, Oleg N.; Artemkina, I. M.; Shcherbakov, V.V.; Pleshkova, N. V.; Seddon, K. R.. "Ionic liquids based on 1-alkyl-3-methyl-imidazolium as agent for electrochemical devices". Chernivtsi University Bulletin. Chemistry 401 (2008): 11-13. http://ibhb.chnu.edu.ua/zhurnal-naukovii-visnik-chnu-seriia-himiia.
    Published
  38. Artemkina, I. M.; Iuliia V. Voroshylova; Pleshkova, N. V.; Kalugin, Oleg N.; Seddon, K. R.; Shcherbakov, V.V.. "Association of some ionic liquids in acetonitrile by conductometric study". Uspekhi Khimii i Khimicheskoi Tekhnologii (Progress in Chemistry and Chemical Technology) 22 3 (2008): 11-16. https://istina.msu.ru/publications/article/80001325/.
    Published
Manual
  1. Eltsov, S. V.; Vodolazkaya, N. A.; Iuliia V. Voroshylova; Vasilets, G. Yu.; Korsun, A. N.; Kravchenko, A. A.. Medical Chemistry: theory and laboratory exercises for the first module: manual. Kharkiv, Ukraine: V. N. Karazin Kharkiv National University. 2013.
    Published

Other

Other output
  1. IONIC LIQUID-ELECTRODE INTERFACE: CLASSIFICATION OF IONS, SATURATION OF LAYERS, AND STRUCTURE-DETERMINED POTENTIALS. 2023. Karu, K.; Nerut, E.R.; Tao, X.; Kislenko, S.A.; Pohako-Esko, K.; Voroshylova, I.V.; Ivaništšev, V.B.. http://www.scopus.com/inward/record.url?eid=2-s2.0-85148432145&partnerID=MN8TOARS.
    10.48550/arXiv.2302.00076
Activities

Oral presentation

Presentation title Event name
Host (Event location)
2024/04/23 Ionic liquid–electrode interface: partial charge transfer, surface dipole, and quantum capacitance 29th EUCHEMS Conference on Molten Salts and Ionic Liquids, Euchemsil-2024
University of Santiago de Compostela, Faculty of Chemistry (Santiago de Compostela, Spain)
2024/04/23 Charge Screening at Ionic Liquid-Electrode Interfaces 29th EUCHEMS Conference on Molten Salts and Ionic Liquids, Euchemsil-2024
University of Santiago de Compostela, Faculty of Chemistry (Santiago de Compostela, Spain)
2024/04/14 Adsorption and structuring processes at single-crystal electrode | ionic liquid interface – insights from simulations and in situ studies 8th Baltic Electrochemistry Conference: Finding New Inspiration 2 (BEChem 2024)
Institute of Chemistry of University of Tartu; Estonian electrochemistry society Elektrokeemia Selts (Tartu, Estonia)
2023/11/22 Electrical double layer in ionic liquids: structures, potentials, and applications ILMAT2023 | 7th International Conference on Ionic Liquid-Based Materials - 21st - 24th November 2023
Instituto Pernambuco
2023/11/22 Molecular dynamics simulation of surface charge screening in Ionic liquids mixtures: competition of ions ILMAT2023 | 7th International Conference on Ionic Liquid-Based Materials - 21st - 24th November 2023
Instituto Pernambuco (Porto, Portugal)
2023/10/25 Molecularly imprinted sensors for electrochemical analysis of pharmaceuticals in environmental waters. The 3rd edition of the Sensors Technologies International conference - Sensors 2023
(Albufeira, Portugal)
2023/10/23 Atomistic insights into interfacial structure of a deep eutectic solvent confined between gold surfaces 3rd International Conference on Applied Science and Engineering, ICASE-2023
(Bangkok, Thailand)
2023/09/04 Competition of Ions on Screening Charged Surfaces in Ionic Liquids Mixtures: Molecular Dynamics Simulation 74th Annual Meeting of the International Society of Electrochemistry, ISE-74
International Society of Electrochemistry (Lyon, France)
2023/07/03 Computational study of the influence of temperature on EMImBF 4 - graphene interface: explanation in the framework of bilayer model YOUNG MULTIS 2023 - Multiscale Phenomena in Condensed Matter online conference for young researchers (online)
The Henryk Niewodniczanski Institute of Nuclear Physics Polish Academy of Sciences (Cracow, Poland)
2023/05/11 20810 | Atomistic MD simulations of adsorption of greenhouse gases in magnetic ionic liquids Investigação Jovem da U.Porto, IJUP-2023
Reitoria da Univerdidade do Porto (Porto, Portugal)
2023/04/25 Electrode | ionic liquid interfaces – from packing of counter-ions to potentials of saturation charge Congress on Ionic Liquids - COIL9
CNRS (Lyon, France)
2023/04/25 Electrode | Ionic liquid interface – insights of capacitance-structure dependence from simulations and bilayer model Congress on Ionic Liquids - COIL9
CNRS (Lyon, France)
2022/11/18 Interface between BmimPF 6 ionic liquid and gold metal surface from MD simulations perspective - QT01 XXVI Encontro galego-português de química
Universidade de Santiago de Compostela, Colegio Oficial de Químicos de Galicia (Santiago de Compostela, Spain)
2022/07/22 Comparison of non-covalent interactions in ionic liquids mixtures and deep eutectic solvents: molecular dynamics study 5th International Conference on Green Chemistry and Sustainable Engineering (GreenChem-22)
Universidad Nicolás de Cusa (Rome, Italy)
2022/06/01 L02-1958 - Relating the Ambient Temperature and Ionic Liquid Structure to the Changes of Capacitance Using Molecular Dynamics 241th ECS Meeting, 29 May - 2 June 2022
The Electrochemical Society (Vancouver, Canada)
2021/09/29 MD study of hydrogen bonding and structure in alternative solvents: ionic liquids mixtures vs. deep eutectic solvents 5th EuChemS Conference on Green and Sustainable Chemistry
Association of Greek Chemists; EuChemS /Division of Green and Sustainable Chemistry; Hellenic Green Chemistry Network; Department of Chemistry, Aristotle University of Thessaloniki (Thessaloniki, Greece)
2021/08/29 Ionic Liquids-Metal Interface: Insights from MD Simulations 72nd Annual Meeting of International Society of Electrochemistry
The Korean Electrochemical Soceity (Jeju Island, South Korea)
2018/11/07 Differential Capacitance at Au(hkl)-[BMIm][PF6] Interface: the Influence of Electrode Crystallography 7th Baltic Electrochemistry Conference: Finding New Inspiration - BEChem 2018
University of Tartu (Tartu, Estonia)
2018/10/29 Intrinsic Analysis of Fluid Interfaces Involving Ionic Liquids. Presentation ID: 166e 2018 AlChE Annual Meeting - AlChE + Chemical Engineering: Today, Tomorrow & Leading the Future
David L. Lawrence Convention Center (Pittsburgh, PA, United States)
2018/04/18 Influence of the anion on ionic liquids mixtures properties: a molecular dynamics study. Presentation ID: OS24 2nd Advances in Green Chemistry Conference - AGChem 2018
Poznan Science and Technology Park (Poznan, Poland)
2016/07/08 Ionic liquids mixtures on charged interfaces. Presentation ID: OP-67 26th EUCHEM Conference on Molten Salts and Ionic Liquids, EUCHEM - 2016
Vienna University of Technology (Vienna, Austria)
2016/05/28 Interactions in the ionic liquids[EMIM][FAP]: a coupled experimental and computational analysis. Presentation ID: 3-50 7th International Conference Physics of Liquid Matter: Modern Problems, PLMMP - 2016
Taras Shevchenko National University of Kyiv (KNU) (Kiev, Ukraine)
2013/09/12 Structure and dynamics of the binary systems based on imidazolium room temperature ionic liquids with polar solvents EMLG - JMLG annual meeting 2013 "Global Perspectives on the Structure and Dynamics of Liquids and Mixtures: Experiment and Simulation"
University of Lille 1 – Sciences and Technologies (Lille, France)
2013/06/27 Macroscopic properties and microscopic structure of the binary systems of room temperature ionic liquids with molecular liquids XIX International conference of chemical thermodynamics in Russia, RCCT - 2013
G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences (Moscow, Russia)
2013/06/25 Ionic association and electric conductivity in binary mixtures of ionic liquids with acetonitrile and methanol XIX International conference of chemical thermodynamics in Russia, RCCT - 2013
G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences (Moscow, Russia)
2011/06/28 Conductivity and microscopic structure of binary systems based on methanol and acetonitrile with ionic liquids XVIII Ukrainian conference on inorganic chemistry with participation of foreign scientists in frame of International year of Chemistry IYC
V. N. Karazin Kharkiv National University (Kharkiv, Ukraine)
2011/04/19 Conductivity of binary systems based on acetonitrile and ionic liquids III All-Ukrainian Conference of students and post-graduate students "Karazin Chemical Readings"
V. N. Karazin Kharkiv National University (Kharkiv, Ukraine)
2011/04/18 Conductivity and ionic association of ionic liquids in methanol at temperatures 5 – 55 C III All-Ukrainian Conference of students and post-graduate students "Karazin Chemical Readings"
V. N. Karazin Kharkiv National University (Kharkiv, Ukraine)
2010/10/10 The New Non-Polarizable Force Field Model of Imidazolium-Based Ionic Liquids. Abstract 575 218th ECS Meeting, B6 - Non-Aqueous Electrolytes for Lithium Batteries
The Electrochemical Society (Las Vegas, Nevada, United States)
2010/05/11 Simulation of the transport coefficients of imidazoliumbased ionic liquids VIII All-Ukrainian Conference of young scientists, students and postgraduate students on the relevant questions in chemistry
Institute for Single Crystals National Academy of Science of Ukraine (Kharkiv, Ukraine)
2010/04/19 Conductivity and association of ionic liquids in acetonitrile II All-Ukrainian Conference of students and post-graduate students "Karazin Chemical Readings"
V. N. Karazin Kharkiv National University (Kharkiv, Ukraine)
2009/09/22 Electrolytes for chemical current sources based on ionic liquids: the solutions of 1-buthyl-3-methyl-imidazolium bromide in acetonitrile Youth electrochemical forum
V. N. Karazin Kharkiv National University (Kharkiv, Ukraine)

Supervision

Thesis Title
Role
Degree Subject (Type)
Institution / Organization
2024/02/12 - 2024/06/28 Co-supervision of traineeship project "Computer simulation of green electrolytes with electrochemical applications"
Co-supervisor of Maria Júlia Brandão Pereira de Oliva Menezes
Licenciatura em química (Other)
Universidade do Porto Faculdade de Ciências, Portugal
2024/02/12 - 2024/06/28 Co-supervision of traineeship project "Computer simulation of green electrolytes with electrochemical applications"
Co-supervisor of Inês Miguel Ferreira Sequeira
Licenciatura em Química (Other)
Universidade do Porto Faculdade de Ciências, Portugal
2023 - 2024 Co-supervision of traineeship project "Simulação computacional de eletrólitos verdes com aplicação eletroquímica"
Co-supervisor of Maria Júlia Brandão Pereira de Oliva Menezes
Licenciatura em Química (Degree)
Universidade do Porto Faculdade de Ciências, Portugal
2023 - 2024 Co-supervision of traineeship project "Simulação computacional de eletrólitos verdes com aplicação eletroquímica"
Co-supervisor of Inês Miguel Ferreira Sequeira
Licenciatura em Química (Degree)
Universidade do Porto Faculdade de Ciências, Portugal
2022/09 - 2023/11 Supervision of master's thesis "Estudo computacional de liquidos ionicos com anioes a base de metais para separação/absorpcao de gases"
Supervisor of Andreia da Palma Fonseca
Química (Master)
REQUIMTE LAQV Porto, Portugal

Universidade do Porto Faculdade de Ciências, Portugal
2023/02/06 - 2023/07/04 Supervision of traineeship project "Molecular dynamics study of electrolytes "solvent-in-salt" for safe and high energy batteries"
Supervisor of Diogo Filipe Gonçalves Cruz
Licenciatura em Física (Other)
Universidade do Porto Faculdade de Ciências, Portugal
2023/02/06 - 2023/07/04 Supervision of traineeship project "Theoretical study of adsorption of surfactants on surfaces from green eutectic solvents"
Supervisor of Guilherme Dias Barbosa
Licenciatura em Bioquímica (Other)
Universidade do Porto Faculdade de Ciências, Portugal
2021/09 - 2022/11 Supervision of master's thesis "SISEs for safe and high energy batteries"
Supervisor of Alex João Pinto de Loureiro Himmel
Química (Master)
Universidade do Porto Faculdade de Ciências, Portugal
2022/02/21 - 2022/06/29 Supervision of traineeship project "Molecular dynamics study of electrolytes "solvent-in-salt" for safe and high energy batteries"
Supervisor of Ana Sofia Dias Martins
Química (Degree)
Universidade do Porto Faculdade de Ciências, Portugal
2022/02/21 - 2022/06/29 Supervision of traineeship project "Molecular dynamics study of electrolytes "solvent-in-salt" for safe and high energy batteries"
Supervisor of Luís Daniel Pinto Ferraz Ribeiro
Química (Degree)
Universidade do Porto Faculdade de Ciências, Portugal
2021 - 2021 Supervision of traineeship project "Theoretical study of surfactantes' adsorption on the graphite surface from deep eutectic solvents"
Supervisor of Ana Margarida Gomes Moreira Alves
Química (Degree)
Universidade do Porto Faculdade de Ciências, Portugal
2017/11 - 2019/07 Co-supervision of master research project "Theoretical study of the effect of addition of solvents (water and alcohols) to ionic liquids" of a post-graduate fellow
Co-supervisor of Náida Catarina Martins de Figueiredo
Universidade do Porto Faculdade de Ciências, Portugal
2019 - 2019 Co-supervision of traineeship project "Electrolytes for batteries with optimized safety"
Co-supervisor of Claudia Cristina Sanz Garcia
Química (Degree)
Universidade do Porto Faculdade de Ciências, Portugal
2019 - 2019 Co-supervision of traineeship project "Electrolytes for batteries with optimized safety"
Co-supervisor of Alex João Pinto de Loureiro Himmel
Química (Degree)
Universidade do Porto Faculdade de Ciências, Portugal
2015 - 2015 Co-supervision of bachelor course project "Theoretical study of solvent additions to ionic liquids"
Co-supervisor of Ricardo José Tavares Santos
Química (Degree)
Universidade do Porto Faculdade de Ciências, Portugal
2015 - 2015 Co-supervision of bachelor course project "Theoretical study of solvent additions to ionic liquids"
Co-supervisor of Fábio Marcelo Carneiro Major
Química (Degree)
Universidade do Porto Faculdade de Ciências, Portugal
2015 - 2015 Co-supervision of bachelor course project "Theoretical study of solvent additions to ionic liquids"
Co-supervisor of Hugo Filipe da Rocha Macedo Carneiro
Química (Degree)
Universidade do Porto Faculdade de Ciências, Portugal
2011/09/01 - 2012/07/06 Co-supervision of master's thesis "Dynamic structure of binary mixtures based on imidazolium ionic liquids and molecular liquids"
Co-supervisor of Alexander Lipeiko
Chemistry, Inorganic Chemistry (Master)
Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
2010/09/01 - 2011/07/06 Co-supervision of master's thesis "Physical and chemical properties and inter-particle interactions in a binary system ionic liquid - acetonitrile"
Co-supervisor of Anastasiia Riabchunova
Chemistry, Inorganic Chemistry (Master)
Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
2010/09/01 - 2011/07/03 Co-supervision of bachelor course work "Electrical conductivity and association in solutions of imidazole and pyridine based ionic liquids in methanol"
Co-supervisor of Sergii Smaga
Chemistry, Inorganic Chemistry (Degree)
Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
2009/09/01 - 2010/07/06 Co-supervision of master's thesis "Electrical conductivity and association in solutions of imidazole and pyridine based ionic liquids in acetonitrile"
Co-supervisor of Kateryna Dakhova
Chemistry, Ionrganic Chemistry (Master)
Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
2008/09/01 - 2009/07/06 Co-supervision of bachelor course work "Ionic association and conductivity of imidazole derivatives in non-aqueous solutions"
Co-supervisor of Kateryna Dakhova
Chemistry, Inorganic Chemistry (Degree)
Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine

Event participation

Activity description
Type of event
Event name
Institution / Organization
2023/03/29 - Current Atendimento da mostra tecnológica de resultados de I&D e Inovação das entidades do Sistem Nacional de Inovação (SNI) TECH4INNOV, "O Presente e o Futuro da Inovação em Portugal", Santa Maria da Feira, Portugal, 29 de Março, 2023
Exhibition
TECH4INNOV
Agência Nacional de Inovação SA, Portugal
2024/03/20 - 2024/03/20 Participation in workshop "Ciber-resiliência". Main topics covered: Protection of Digital Identity and Intellectual Property; Classes of cyber-incidents; Good practices in the use of computer networks; How to generate and manage a password; "Phishing": what it is and how to avoid it; Teleworking and cybersecurity; Cybersecurity in organizations
Workshop
Ciber-resiliência
Universidade do Porto, Portugal
2023/11/07 - 2023/11/08 Attending O Encontro RNCA (Rede Nacional de Computação Avançada) 2023, November 7-8, 2023, Vila Real, Universidade de Trás-os-Montes e Alto-Douro. RNCA organizes this meeting annually for users, technicians and partners and provides news about the network, develops the national HPC ecosystem and provides a meeting point for all subjects in Advanced Computing.
Meeting
Encontro RNCA 2023
Fundação para a Ciência e a Tecnologia, Portugal

Fundacao de Computacao Cientifica Nacional, Portugal

Universidade de Trás-os-Montes e Alto Douro, Portugal

Rede Nacional de Computação Avançada, Portugal
2023/11/03 - 2023/11/03 Participation with an oral presentation in a Bilateral conference - Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto and Chemistry Graduate School, University Paris Saclay. The presentation addressed the Material Research Group's contributions, offering a comprehensive perspective on the work developed and opening the way for collaborations.
Congress
Universidade do Porto Departamento de Química e Bioquímica, Portugal

Université Paris-Saclay, France
2023/10/31 - 2023/10/31 Participação com apresentação oral em reunião bilateral entre os membros permanentes do Departamento de Química e Bioquímica (DQB) e do Departamento de Engenharia Química da Faculdade de Engenharia da Universidade do Porto (FEUP). A apresentação abordou as contribuições do grupo de investigação em materiais, oferecendo uma perspetiva abrangente sobre o trabalho desenvolvido.
Meeting
Universidade do Porto Departamento de Química e Bioquímica, Portugal

Universidade do Porto Departamento de Engenharia Química, Portugal
2023/09/03 - 2023/09/08 Participation in 74th Annual Meeting of International Society of Electrochemistry, ISE-74, with poster "From Saturation Parameters to Self-Consistent Bilayer Model of the Ionic Liquid - Electrode Interfaces", 3-8 September, 2023, France, Lyon.
Conference
74th Annual Meeting of the International Society of Electrochemistry, ISE-74
International Society of Electrochemistry, Switzerland
2023/08/08 - 2023/08/11 Attending 8th LAMMPS Workshop and Symposium, August 8-11, 2023. Virtual event, hosted by Temple University. Each of the 4 days had a morning and afternoon sessions with lectures, hand-on and tutorials.
Workshop
8th LAMMPS Workshop and Symposium
Temple University, United States
2023/05/15 - 2023/05/26 Short term scientific visit to University of Santiago de Compostela with a project entitled "Desenvolvimento de sistemas eletrólito-elétrodo à base de líquidos iónicos para dispositivos de armazenamento e transformação de energia de nova geração: estudo computacional" within the program IACOBUS
Other
IACOBUS Programe
Universidade de Santiago de Compostela, Spain

Universidade do Porto, Portugal

Agrupación Europea de Cooperación Territorial – Galicia-Norte de Portugal (GNP-AECT), Spain
2023/05/17 - 2023/05/19 Participation with poster "GREENHOUSE GASES SOLUBILITY BY MAGNETIC IONIC LIQUIDS: MD SIMULATION STUDY" (A.P. Fonseca, N.M. Figueiredo, I.V. Voroshylova, M.N.D.S. Cordeiro) in 8th Portuguese Young Chemists Meeting, 8PYCheM, 17 - 19 May 2023, Universidade de Trás-os-Montes e Alto Douro
Conference
8th Portuguese Young Chemistry Meeting, 8PYCheM
Sociedade Portuguesa de Química, Portugal

Universidade de Trás-os-Montes e Alto Douro, Portugal
2023/04/20 - 2023/04/23 Participation in Mostra da UP - 2023 as a tutor
Exhibition
Mostra da UPORTO 2023
Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal
2023/03/31 - 2023/04/03 Participação com poster "FORCE FIELD VALIDATION METHODS FOR MOLECULAR DYNAMICS SIMULATIONS OF PHOSPHONIUM-BASED MAGNETIC IONIC LIQUIDS" (A.P. Fonseca, N.M. Figueiredo, I.V. Voroshylova, M.N.D.S. Cordeiro) no Encontro Nacional de Estudantes de Química, ENEQUI-2023, 31 de março a 3 de abril, Faculdade de Ciências da Universidade do Porto
Conference
Encontro Nacional de Estudantes de Química, ENEQUI-2023
Universidade do Porto Faculdade de Ciências, Portugal
2022/07/21 - 2022/07/22 Participation in workshop "Boas Práticas na Orientação Doutoral", 21-22 July, 2022 (2 modules, 6 hours). An opportunity to share constraints and problems daily experienced in the scope of doctoral supervision. 'Best Practices', making the orientation process more productive and satisfactory, minimizing the effort and stressors associated with this function are discussed. 1st module (3 hours): the analysis of trends, data, individual experiences and 'Best Practices' in this area; individual and group exercises. 2nd module: case studies in groups
Workshop
Boas Práticas na Orientação Doutoral
Universidade do Porto Faculdade de Ciências, Portugal
2022/07/07 - 2022/07/08 Attending MUG 2022 - MACC user group workshop, July 7-8, 2022, Porto, Portugal. The MACC is a member of the National Network for Advanced Computing, which aims to support the academic and business communities in the High-Performance Computing (HPC) field. MUG is a discussion forum to all potential users about HPC-related topics in Portugal and Europe. This event aims to foster a collaborative environment between different stakeholders, promoting the adoption of advanced computing technique and engagement with the operational team.
Workshop
MUG 2022
Universidade do Minho Advanced Computing Center, Portugal
2022/04/21 - 2022/04/24 Participation in Mostra da UP - 2022 as a tutor
Exhibition
Mostra da UPORTO 2022
Universidade do Porto, Portugal
2022/03/30 - 2022/03/30 Attending webinar "Atomistic-scale simulations of realistic, complex, reactive materials: the ReaxFF reactive force field and its applications"
Seminar
Atomistic-scale simulations of realistic, complex, reactive materials: the ReaxFF reactive force field and its applications
Materials Design, Inc, United States
2022/01/20 - 2022/01/20 Attending iRASPA/RASPA online workshop 2022, 20 January. This workshop/school focused on a practical understanding of visualization and molecular simulation of nanoporous materials and fluids, using iRASPA and RASPA. RASPA is well known for force field-based molecular simulation of adsorption and diffusion in nanoporous materials (such as MOFs and zeolites), as well as studying thermodynamic and transport properties of complex fluids. This 1-day workshop combines lectures and practice.
Workshop
iRASPA/RASPA online workshop 2022
Universiteit van Amsterdam, Netherlands
2021/11/22 - 2021/11/25 Attending training course (online) "Introduction to Supercomputing at Jülich supercomputers (JSC) - Theory & Practice", 22 November - 25 November 2021 (Online)
Workshop
Introduction to Supercomputing at JSC - Theory & Practice (training course, online)
Forschungszentrum Jülich Jülich Supercomputing Centre, Germany
2021/11/11 - 2021/11/11 Participation in treining webinar "Recursos de Investigação nas áreas das Ciências e Engenharias: pesquisas avançadas", uma acão de formação, promovida pela EBSCO, 11 November 2021
Workshop
Recursos de Investigação nas áreas das Ciências e Engenharias: pesquisas avançadas
EBSCO Information Services Spain, Spain
2021/10/07 - 2021/11/02 Attending Materials Design Annual User Group Meeting, which included 4 webinars ("Catalytic Processes for Sustainable Chemical and Fuels "; "Materials for Quantum Computing: An Interview with Prof. Chris Van de Walle"; "Post-DFT Accuracy for Finite Temperature Properties Using Incremental Machine Learning"; "Machine Learning and Molecular Dynamics") and 3 training sessions ("Classical Forcefield-based Methods"; "MedeA VASP and Battery Applications"; "MedeA Machine Learning Potential Generator (MLPG)"
Workshop
Materials Design Annual User Group Meeting
Materials Design, Inc, United States
2021/08/29 - 2021/09/03 Presenting a poster "Capacitance Hysteresis in MD Simulations of BMImPF6|Au(111) Interface " by I.V. Voroshylova, H. Ers, B. Docampo Alvarez, P. Pikma, V.B. Ivani¿t¿ev, M.N.D.S. Cordeiro at hybrid conference 72st Annual Meeting of the International Society of Electrochemistry, Jeju Island, Korea, 29 August - 03 September 2021. Poster ID: s20-015
Conference
72nd Annual Meeting of International Society of Electrochemistry
The Korean Electrochemical Society, South Korea
2021/08/10 - 2021/08/13 Attending The 7th LAMMPS Workshop and Symposium, 10 August - 13 August 2021 (Online)
Workshop
The 7th LAMMPS Workshop and Symposium
Temple University, United States
2021/06/07 - 2021/06/17 Attending 16th Granada Seminar on Computational Physics "New Frontiers in Nonequilibrium Statistical Physics: from fundamentals, fluctuations, and hydrodynamics to biology and quantum nonequilibrium", 7 June - 17 June 2021 (Online)
Seminar
16th Granada Seminar
The Institute Carlos I for Theoreti al and Computational Physics, Spain
2021/05/20 - 2021/05/20 Attending symposium "Physics and Chemistry of Electrified Interfaces", 20 May 2021
Symposium
Physics and Chemistry of Electrified Interfaces
The Thomas Young Centre, United Kingdom
2021/05/13 - 2021/05/13 Participation in webinar "Boas práticas em transferência de tecnologia e conhecimento", 13 May 2021 Ciclo de workshops regionais: boas práticas em transferência de tecnologia e conhecimento
Agência Nacional de Inovação SA, Portugal
2020/08/30 - 2020/09/04 Presenting a poster "Reliable Differential Capacitance from Computer Simulation of Ionic Liquid Confined Between Charged Electrodes" by I.V. Voroshylova, H. Ers, V. Ivaništšev, C.M. Pereira, M.N.D.S. Cordeiro at online conference 71st Annual Meeting of the International Society of Electrochemistry – BelgradeOnline, Belgrade, Serbia, 30 August - 04 September 2020. Poster ID: s07-046
Conference
71st Annual Meeting - International Society of Electrochemistry
Univerzitet u Beogradu, Serbia

International Society of Electrochemistry, Switzerland
2020/08/30 - 2020/09/04 Presenting a poster "Molecular Dynamics Simulation of Ionic Liquid at Electrified Interface: Impact of Electrode Surface Crystallography" by I.V. Voroshylova, M. Lembinen, H. Ers, V. Ivaništšev, C.M. Pereira, M.N.D.S. Cordeiro at online conference 71st Annual Meeting of the International Society of Electrochemistry – BelgradeOnline, Belgrade, Serbia, 30 August - 04 September 2020. Poster ID: s19-097
Conference
71st Annual Meeting - International Society of Electrochemistry
Univerzitet u Beogradu, Serbia

International Society of Electrochemistry, Switzerland
2020/06/30 - 2020/07/01 Participation in online workshop "Introduction to Biomolecular modeling and Molecular dynamics in HPC (Classic and Quantum)", 30 Jun 2020 - 1 Jul 2020
Workshop
Introduction to Biomolecular modeling and Molecular dynamics in HPC
Partnership for Advanced Computing In Europe, Belgium
2019/04/04 - 2019/04/07 Participation in Mostra da UP - 2019 as a tutor
Exhibition
Mostra da UPORTO 2019
Universidade do Porto, Portugal
2018/04/16 - 2018/04/19 Presenting a poster "Theoretical study of the addition of solvents to ionic liquids" by N.M. Figueiredo, I.V. Voroshylova, M.N.D.S. Cordeiro at 2nd Advances in Green Chemistry Conference – AGChem 2018, Poznan, Poland, 16-19 April 2018. Poster ID: P_016
Conference
2nd Advances in Green Chemistry Conference – AGChem 2018
Poznanski Park Naukowo-Technologiczny, Poland
2018/04/18 - 2018/04/18 Participation in Mostra da UP - 2018 as a tutor
Exhibition
Mostra da UPORTO 2018
Universidade do Porto, Portugal
2017/12/18 - 2017/12/20 Participation in workshop on Emerging Technologies for Energy, ETE-2017, 18-20 December 2017
Workshop
ETE-2017 - Workshop on Emerging Technologies for Energy
Universidade do Porto Faculdade de Ciências, Portugal
2017/12/11 - 2017/12/13 Presenting a poster "Computer simulations for estimating of differential capacitance in ionic liquids" by I. V. Voroshylova, M. Mišin, V. Ivaništšev, M. Lembinen, C. M. Pereira, M.N.D.S. Cordeiro at CECAM workshop "Physics and Chemistry at Fluid/Fluid Interfaces", 11-13 December 2017
Workshop
CECAM workshop "Physics and Chemistry at Fluid/Fluid Interfaces"
Erwin-Schrödinger-Institut für Mathematische Physik, Austria
2017/08/07 - 2017/08/20 Scientific visit to deepen the collaboration with the Electrochemistry Group of University of Tartu
Other
Tartu Ülikool, Estonia
2017/07/17 - 2017/07/21 Presenting a poster "Estimating differential capacitance of the electric double layer in ionic liquids using computer simulations" by I.V. Voroshylova, M. Mišin, V. Ivaništšev, M. Lembinen, C.M. Pereira, M.N.D.S. Cordeiro at 10th Liquid Matter Conference, Liquids - 2017, Ljubljana, Slovenia, 17-21 July 2017. Poster ID: 7.010
Conference
10th Liquid Matter Conference, Liquids - 2017
Institut Jožef Stefan, Slovenia

Univerza v Ljubljani, Slovenia
2017/02/07 - 2017/02/10 Participation with a poster "Ionic Liquids on Charged Interfaces: Molecular Dynamics Simulation" by I. V. Voroshylova, V. Ivaništšev, C. M. Pereira, M. N. D.S. Cordeiro in Ionic Liquids Winter School, ILWS2017, 07-10 February 2017
Workshop
Ionic Liquids Winter School, ILWS2017
Universidade do Porto Departamento de Química e Bioquímica, Portugal
2016/07/03 - 2016/07/08 Presenting a poster "Molecular dynamics of ethaline: reliable physico-chemical properties" by E. S. C. Ferreira, I. V. Voroshylova. C. M. Pereira, M. N. D. S. Cordiero at 26th EUCHEM Conference on Molten Salts and Ionic Liquids, EUCHEM - 2016, Vienna, Austria, 3-8 July 2016. Poster ID: PP-78
Conference
Conference on Molten Salts and Ionic Liquids, EUCHEM - 2016
Royal Society of Chemistry, United Kingdom
2016/03/01 - 2016/03/31 Short term scientific mission (STSM) entitled "MD simulations of ionic liquids mixtures at charged interfaces" within the COST-EXIL (Exchange on Ionic Liquids) action CM1206
Other
Tartu Ülikool, Estonia
2015/07/12 - 2015/07/21 Presenting a poster "INTERACTIONS IN THE IONIC LIQUID [EMIM][FAP]: A COUPLED EXPERIMENTAL AND COMPUTATIONAL ANALYSIS" by I. V. Voroshylova, F. Teixira, R. Costa, C. M. Pereira, M. N. D. S. Cordeiro at Collaborative Computational Project for simulations of condensed phases - CCP5 - Summer School, with advanced course on Ab initio methods, 12 - 21 July 2015
Workshop
CCP5 - Summer School
The University of Manchester School of Chemistry, United Kingdom
2012/09/11 - 2012/09/14 Presenting a poster "Transport properties and ionic clusters in mixtures of imidazolium-based ionic liquids with acetonitrele by means of molecular dynamics simulations" by I. V. Voroshylova, V. V. Chaban, O. N. Kalugin at 6th International conference on material science and condensed matter physics, Chisinau, Moldova, 11 - 14 September 2012. Poster ID: MSP 39 P
Conference
6th International conference on material science and condensed matter physics
Academia de Stiinte a Moldovei Institutului de Fizica Aplicata, Moldova

Universitatea de Stat din Moldova, Moldova
2010/09/05 - 2010/09/09 Presenting a poster "The new force field model for imidazolium based ionic liquids" by I.V. Voroshylova, V.V. Chaban, O.N. Kalugin at 28th EMLG-JMLG Annual Meeting 2010, "Complex liquids: modern trends in exploration, understanding and application", Lviv, Ukraine, September 5 – 9, 2010. Poster ID: P 52
Conference
28th EMLG-JMLG Annual Meeting 2010, "Complex liquids: modern trends in exploration, understanding and application"
Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine, Ukraine

Lvivskij Natsionalnyj Universitet imeni Ivana Franka, Ukraine

Nacional'nij universitet L'vivs'ka politehnika, Ukraine
2009/05/31 - 2009/06/04 Presenting a poster "Microscopic structure and ion dynamics in 1-ethyl-3methyl-imidazolium tetrafluoroborate and 1-buthyl-3methyl-imidazolium tetrafluoroborate room temperature ionic liquids" by I.V. Voroshylova and O. N. Kalugin at 5th scientific international conference in chemistry "Kiev-Toulouse", Kiev, Ukraine, May 31 – June 4, 2009
Conference
5th scientific international conference in chemistry "Kiev-Toulouse"
Kiivs'kij nacional'nij universitet imeni Tarasa Sevcenka, Ukraine
2007/07/01 - 2007/07/06 Presenting a poster "Problems of interpretation of conductance of Bu4NBr in acetonitrile in the range of moderate and high concentrations" by E.V. Lukinova, J.V. Usina, O.N. Kalugin at XVI International Conference on chemical thermodynamics in Russia, RCCT-2007, Suzdal, Russia, July 1-6, 2007
Conference
XVI International Conference on chemical thermodynamics in Russia, RCCT-2007
2007/06/26 - 2007/06/30 Presenting a poster "Conductivity and interparticle interactions in solution of Bu4NBr in acetonitrile”, International Conference " by E.V. Lukinova, Y.V. Usina, O.N. Kalugin at International Conference "Modern Physical Chemistry for Advanced Materials", MPC-07, Kharkiv, Ukraine, June 26 - 30, 2007
Conference
Modern Physical Chemistry for Advanced Materials", MPC-07
Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine

Jury of academic degree

Topic
Role
Candidate name (Type of degree)
Institution / Organization
2023/07/26 Arguente principal nas provas de projeto final “Diversidade estrutural e química de alótropes de carbono”, da Licenciatura em Química (L:Q) de André Oliveira da Silva Terra. Departamento de Química e Buiqímica da Faculdade de Ciências da Universidade do Porto. Julho 2023.
(Thesis) Arguer
André Oliveira da Silva Terra (Other)
Universidade do Porto Faculdade de Ciências, Portugal

Universidade do Porto Departamento de Química e Bioquímica, Portugal

Committee member

Activity description
Role
Institution / Organization
2023/01 - 2026/01 Membro da Comissão de Investigadores (CdI) do Departamento de Química e Bioquímica (DQB) da Faculdade de Ciências da Universidade do Porto. A CdI tem como seus objectivos a organização e divulgação de iniciativas relativas aos Investigadores Doutorados do DQB, representação de interesses dos Investigadores Doutorados e visa melhorar as condições de trabalho de Investigadores Doutorados.
Member
Universidade do Porto Departamento de Química e Bioquímica, Portugal

Course / Discipline taught

Academic session Degree Subject (Type) Institution / Organization
2023 - Current Química Computacional Química (Mestrado integrado) Universidade do Porto Faculdade de Ciências, Portugal
2023 - Current Estrutura Atómica e Molecular Licenciatura em Química (Licenciatura) Universidade do Porto Faculdade de Ciências, Portugal
2020 - 2023 Laboratório de Química Física Biológica Bioquímica (Licenciatura) Universidade do Porto Faculdade de Ciências, Portugal
2012/09/01 - 2013/08/31 Medicinal Chemistry for foreign students (in English) (Bachelor) Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine
2008/01/15 - 2008/07/03 Molecular dynamics simulation of condensed non-organized media (Master) Harkivs'kij nacional'nij universitet imeni V N Karazina, Ukraine

Journal scientific committee

Journal title (ISSN) Publisher
2024/04 - Current Journal of Energy Storage (2352-152X) Elsevier
2024/04 - Current Polymers (2073-4360) MPDI
2024/03 - Current Chemical Engineering Science (0009-2509) Elsevier
2024/03 - Current RSC Advances (2046-2069) RSC
2024/02 - Current Theoretical Chemistry Accounts (1432-2234) Springer
2024/01 - Current ChemElectroChem (2196-0216) Wiley-VCH
2023/12 - Current The Journal of Environmental Chemical Engineering (2213-3437) Eslevier
2023/11/24 - Current Liquids (2673-8015 ) MDPI
2023/09/27 - Current Chemical Engineering Journal (1385-8947) Elsevier
2023/09/19 - Current ACS Sustainable Chemistry & Engineering (2168-0485) American Chemical Society
2023/09/18 - Current Journal of Engineering and Applied Science (2536-9512) Springer
2023/09/08 - Current Molecular Systems Design & Engineering ( 2058-9689) Royal Soceity of Chemistry
2023/06 - Current Applied Surface Science (1873-5584) Elsevier
2023/06 - Current Molecules (1420-3049) MDPI
2023/04 - Current Journal of Molecular Graphics and Modelling (1093-3263) Elsevier
2023/03 - Current Processes (2227-9717) MDPI
2023/02 - Current Computational and Theoretical Chemistry (2210-271X) Elsevier
2022/09 - Current Molecular Simulation (10290435) Taylor & Francis
2022/06 - Current Journal of Molecular Structure (0022-2860) Elsevier
2022/02/14 - Current Elecrtochimica Acta (0013-4686) Elsevier
2021/12/02 - Current Scientific Reports (2045-2322) Nature Portfolio
2021/10 - Current Materials Advances (2633-5409) Royal Society of Chemistry
2020/06/21 - Current Chemical Physics (0301-0104) Elsevier
2020/05/08 - Current Chemical Papers (1336-9075) Springer-Verlag
2019/09/17 - Current Journal of Chemical Information and Modeling (1549-960X) American Chemical Society
2019/07/16 - Current Ionics (1862-0760) Springer-Verlag
2017/02 - Current Journal of Molecular Modeling (0948-5023) Springer
2017/01/03 - Current Journal of Molecular Liquids (0167-7322) Elsevier
2014/09/08 - Current The Journal of Physical Chemistry B (1520-5207 ) American Chemical Society
2014/04/17 - Current The Journal of Physical Chemistry Letters (1948-7185) ACS Publications
2023/05/01 - 2023/10/31 Molecules (Special Issue Editor) (1420-3049) MDPI

Other jury / evaluation

Activity description Institution / Organization
2023/01/09 - 2023/06/25 Participation in the User Panel for the "Scientific Posters" short course offered by Nature Masterclass. As part of the panel, I conducted an alpha review for the 'Creating a research poster' course. During this process, I provided feedback on the full draft of the course, including its clarity and effectiveness for learners. The course received an overall positive response with a rating of 4.5 out of 5. My contributions to the alpha review were crucial in refining the course content. Springer Nature Limited, United Kingdom

Nature, United Kingdom
Distinctions

Other distinction

2013 Certificate of Excellence For the Best Oral Report
2007 Honours Fellowship - Master Degree
2006 Honours Fellowship - 4th year of Bachelor Degree
2005 Honours Fellowship - 3rd year of Bachelor Degree
2004 Honours Fellowship - 2nd year of Bachelor Degree
2003 Honours Fellowship - 1st year of Bachelor Degree