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Tiago Cerqueira is a Doctor (PhD) in Physics, awarded in 2016 from Friedrich-Schiller-Universität Jena. He is a Researcher at the University of Coimbra. He has published 21 articles in specialized journals. His work focuses on Condensed Matter, with a special interest in material design, structure prediction, and calculation of superconducting properties, using a combination of ab initio methods and Machine Learning. He has supervised or is currently supervising 4 master's theses. He is the Principal Investigator of the project "Ab initio search for practical superconducting materials."
Identification

Personal identification

Full name
Tiago Cerqueira

Citation names

  • Cerqueira, Tiago
  • Cerqueira, Tiago F.T.
  • Cerqueira, T.F.T.

Author identifiers

Ciência ID
5617-BCD1-BD04
ORCID iD
0000-0002-4147-8129
Google Scholar ID
-NzpqPkAAAAJ&hl

Knowledge fields

  • Exact Sciences - Physical Sciences - Condensed Matter Physics

Languages

Language Speaking Reading Writing Listening Peer-review
Portuguese (Mother tongue)
English Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
Education
Degree Classification
2014/10/01 - 2016/05/26
Concluded
 Physics (Doktor (PhD))
Friedrich-Schiller-Universität Jena, Germany
"Structural prediction and materials design - from high throughput to global minima optimization methods " (THESIS/DISSERTATION)
2012/10/01 - 2014/09/30
Attended
 Physique (Doctorat)
Université de Lyon Ecole Doctorale Physique et Astrophysique, France
2012/07/27
Concluded
 Física (Mestrado)
Universidade de Coimbra, Portugal
2010/08/31
Concluded
 Física (Licenciatura)
Universidade de Coimbra, Portugal
Affiliation

Science

Category
Host institution 		Employer
2019/10/01 - Current Contracted Researcher (Research) Universidade de Coimbra, Portugal
2014/10/01 - 2015/12/31 Researcher (Research) Friedrich Schiller Universität Jena Institut für Festkörpertheorie und -optik, Germany
2012/09/19 - 2014/08/31 Researcher (Research) Institut Lumière Matière, France

Others

Category
Host institution 		Employer
2016/05/02 - 2019/09/30 Data Scientist Eneida wireless & sensors, Portugal
Projects

Contract

Designation Funders
2023/01/01 - Current Ab initio search for practical superconducting materials
2022.09975.PTDC
Principal investigator
Universidade de Coimbra Centro de Física, Portugal
Ongoing
2019/10/01 - 2022/07/01 High-throughput ab-initio inverse design of materials
POCI-01-0145-FEDER-032229
Researcher
Universidade de Coimbra Centro de Física, Portugal
Concluded

Other

Designation Funders
2023/03/01 - 2024/02/29 Ab initio search for practical superconductors
2022.15822.CPCA
Co-Principal Investigator (Co-PI)
Universidade de Coimbra Centro de Física, Portugal
 Fundação para a Ciência e a Tecnologia
Ongoing
Outputs

Publications

Conference poster
  1. Carriço, Pedro J.M.A; Ferreira, Márcio; Cerqueira, Tiago F.T.. Corresponding author: Carriço, Pedro J.M.A. "Network-predicted uncertainty for materials properties". Paper presented in DFT@PT, 2023.
  2. Noah Hoffmann; Cerqueira, Tiago F.T.; Schmidt, Jonathan; Marques, Miguel A.L.. Corresponding author: Cerqueira, Tiago F.T.. "Superconductivity in antiperovskites". 2022.
  3. João N.Q. Oliveira; Nogueira, Fernando; Cerqueira, Tiago F.T.. Corresponding author: João N.Q. Oliveira. "Phase diagrams of high-pressure ternary systems". Paper presented in Física 2022 - 23ª Conferência Nacional de Física, 2022.
  4. Pedro J.M.A. Carriço; Borlido, Pedro; Márcio Rafael Baptista Ferreira; Cerqueira, Tiago F.T.. Corresponding author: Pedro J.M.A. Carriço. "Large scale screening of high refractive index materials". Paper presented in Física 2022 - 23ª Conferência Nacional de Física, 2022.
Journal article
  1. Antonio Sanna; Tiago F. T. Cerqueira; Yue-Wen Fang; Ion Errea; Alfred Ludwig; Miguel A. L. Marques. "Prediction of ambient pressure conventional superconductivity above 80 K in hydride compounds". npj Computational Materials (2024): https://doi.org/10.1038/s41524-024-01214-9.
    10.1038/s41524-024-01214-9
  2. Pedro J. M. A. Carriço; Márcio Ferreira; Tiago F. T. Cerqueira; Fernando Nogueira; Pedro Borlido. "High-refractive-index materials screening from machine learning and ab initio methods". Physical Review Materials (2024): http://dx.doi.org/10.1103/physrevmaterials.8.015201.
    10.1103/physrevmaterials.8.015201
  3. Tiago F. T. Cerqueira; Antonio Sanna; Miguel A. L. Marques. "Sampling the Materials Space for Conventional Superconducting Compounds". Advanced Materials (2023): https://doi.org/10.1002/adma.202307085.
    10.1002/adma.202307085
  4. Noah Hoffmann; Tiago F. T. Cerqueira; Pedro Borlido; Antonio Sanna; Jonathan Schmidt; Miguel A. L. Marques. "Searching for ductile superconducting Heusler X2YZ compounds". npj Computational Materials (2023): https://doi.org/10.1038/s41524-023-01084-7.
    10.1038/s41524-023-01084-7
  5. Schmidt, Jonathan; Hoffmann, Noah; Wang, Hai-Chen; Borlido, Pedro; Carriço, Pedro J. M. A.; Cerqueira, Tiago F. T.; Botti, Silvana; Marques, Miguel A. L.. "Machine-learning-assisted determination of the global zero-temperature phase diagram of materials". Advanced Materials (2023): 2210788. http://dx.doi.org/10.1002/adma.202210788.
    10.1002/adma.202210788
  6. Noah Hoffmann; Tiago F. T. Cerqueira; Jonathan Schmidt; Miguel A. L. Marques. "Superconductivity in antiperovskites". npj Computational Materials (2022): https://doi.org/10.1038/s41524-022-00817-4.
    10.1038/s41524-022-00817-4
  7. Schmidt, Jonathan; Wang, Hai-Chen; Cerqueira, Tiago F. T.; Botti, Silvana; Marques, Miguel A. L.. "A dataset of 175k stable and metastable materials calculated with the PBEsol and SCAN functionals". Scientific Data 9 1 (2022): http://dx.doi.org/10.1038/s41597-022-01177-w.
    10.1038/s41597-022-01177-w
  8. Balédent, Victor; Cerqueira, Tiago T. F.; Sarmiento-Pérez, Rafael; Shukla, Abhay; Bellin, Christophe; Marsi, Marino; Itié, Jean-Paul; et al. "High-pressure phases of VO2 from the combination of Raman scattering and ab initio structural search". Physical Review B 97 2 (2018): http://dx.doi.org/10.1103/physrevb.97.024107.
    10.1103/physrevb.97.024107
  9. Alencar, R.S.; Cui, Wenwen; Torres-Dias, A.C.; Cerqueira, Tiago F.T.; Botti, Silvana; Marques, Miguel A.L.; Ferreira, O.P.; et al. "Pressure-induced radial collapse in few-wall carbon nanotubes: A combined theoretical and experimental study". Carbon 125 (2017): 429-436. http://dx.doi.org/10.1016/j.carbon.2017.09.044.
    10.1016/j.carbon.2017.09.044
  10. Torres-Dias, Abraao C.; Cerqueira, Tiago F.T.; Cui, Wenwen; Marques, Miguel A.L.; Botti, Silvana; Machon, Denis; Hartmann, Markus A.; et al. "From mesoscale to nanoscale mechanics in single-wall carbon nanotubes". Carbon 123 (2017): 145-150. http://dx.doi.org/10.1016/j.carbon.2017.07.036.
    10.1016/j.carbon.2017.07.036
  11. Shi, Jingming; Cerqueira, Tiago F. T.; Cui, Wenwen; Nogueira, Fernando; Botti, Silvana; Marques, Miguel A. L.. "High-throughput search of ternary chalcogenides for p-type transparent electrodes". Scientific Reports 7 1 (2017): http://dx.doi.org/10.1038/srep43179.
    10.1038/srep43179
  12. Balima, Félix; Le Floch, Sylvie; Adessi, Christophe; Cerqueira, Tiago F.T.; Blanchard, Nicholas; Arenal, Raúl; Brûlet, Annie; et al. "Radial collapse of carbon nanotubes for conductivity optimized polymer composites". Carbon 106 (2016): 64-73. http://dx.doi.org/10.1016/j.carbon.2016.05.004.
    10.1016/j.carbon.2016.05.004
  13. Cerqueira, Tiago F. T.; Pailhès, Stéphane; Debord, Régis; Giordano, Valentina M.; Viennois, Romain; Shi, Jingming; Botti, Silvana; Marques, Miguel A. L.. "Prediction and Synthesis of a Non-Zintl Silicon Clathrate". Chemistry of Materials 28 11 (2016): 3711-3717. http://dx.doi.org/10.1021/acs.chemmater.6b00392.
    10.1021/acs.chemmater.6b00392
  14. Cui, Wenwen; Cerqueira, Tiago F. T.; Botti, Silvana; Marques, Miguel A. L.; San-Miguel, Alfonso. "Nanostructured water and carbon dioxide inside collapsing carbon nanotubes at high pressure". Physical Chemistry Chemical Physics 18 29 (2016): 19926-19932. http://dx.doi.org/10.1039/c6cp03263j.
    10.1039/c6cp03263j
  15. Sarmiento-Pérez, Rafael; Cerqueira, Tiago F. T.; Körbel, Sabine; Botti, Silvana; Marques, Miguel A. L.. "Prediction of Stable Nitride Perovskites". Chemistry of Materials 27 17 (2015): 5957-5963. http://dx.doi.org/10.1021/acs.chemmater.5b02026.
    10.1021/acs.chemmater.5b02026
  16. Cerqueira, Tiago F. T.; Sarmiento-Pérez, Rafael; Amsler, Maximilian; Nogueira, F.; Botti, Silvana; Marques, Miguel A. L.. "Materials Design On-the-Fly". Journal of Chemical Theory and Computation 11 8 (2015): 3955-3960. http://dx.doi.org/10.1021/acs.jctc.5b00212.
    10.1021/acs.jctc.5b00212
  17. Cerqueira, Tiago F. T.; Lin, Sun; Amsler, Maximilian; Goedecker, Stefan; Botti, Silvana; Marques, Miguel A. L.. "Identification of Novel Cu, Ag, and Au Ternary Oxides from Global Structural Prediction". Chemistry of Materials 27 13 (2015): 4562-4573. http://dx.doi.org/10.1021/acs.chemmater.5b00716.
    10.1021/acs.chemmater.5b00716
  18. Sarmiento-Pérez, Rafael; Cerqueira, Tiago F. T.; Valencia-Jaime, Irais; Amsler, Maximilian; Goedecker, Stefan; Romero, Aldo H.; Botti, Silvana; Marques, Miguel A. L.. "Novel phases of lithium-aluminum binaries from first-principles structural search". The Journal of Chemical Physics 142 2 (2015): 024710. http://dx.doi.org/10.1063/1.4905141.
    10.1063/1.4905141
  19. Cerqueira, Tiago F. T.; Oliveira, Micael J. T.; Marques, Miguel A. L.. "Benchmarking the AK13 Exchange Functional: Ionization Potentials and Electron Affinities". Journal of Chemical Theory and Computation 10 12 (2014): 5625-5629. http://dx.doi.org/10.1021/ct500550s.
    10.1021/ct500550s
  20. Cerqueira, Tiago F.T.; Botti, Silvana; San-Miguel, Alfonso; Marques, Miguel A.L.. "Density-functional tight-binding study of the collapse of carbon nanotubes under hydrostatic pressure". Carbon 69 (2014): 355-360. http://dx.doi.org/10.1016/j.carbon.2013.12.036.
    10.1016/j.carbon.2013.12.036
  21. Sarmiento-Pérez, Rafael; Cerqueira, Tiago F T; Valencia-Jaime, Irais; Amsler, Maximilian; Goedecker, Stefan; Botti, Silvana; Marques, Miguel A L; Romero, Aldo H. "Sodium–gold binaries: novel structures for ionic compounds from anab initiostructural search". New Journal of Physics 15 11 (2013): 115007. http://dx.doi.org/10.1088/1367-2630/15/11/115007.
    10.1088/1367-2630/15/11/115007
  22. Cerqueira, Tiago F.T.; Sarmiento-Pérez, Rafael; Trani, Fabio; Amsler, Maximilian; Goedecker, Stefan; Marques, Miguel A.L.; Botti, Silvana. "The crystal structure of p-type transparent conductive oxide CuBO2". MRS Communications 3 3 (2013): 157-160. http://dx.doi.org/10.1557/mrc.2013.21.
    10.1557/mrc.2013.21

Intellectual property

Patent
  1. Cerqueira, Tiago; Bruno Galhardo. 2024. "A METHOD, DEVICE AND SYSTEM FOR THE AUTONOMOUS MAPPING OF AN ENERGY METER". Portugal.
    Granted/Issued
  2. Martins, Jorge F.P. ; Pintado, Gonçalo N.C. ; Cerqueira, Tiago F.T.; Bruno Galhardo; Oliveira, Luís M.A.; Casaleiro, Nuno F.D.; Aparício, Alexandre J.F.. 2022. "LEAKAGE AND FLASHOVER CURRENT MONITORING SYSTEM IN VHV OVERHEAD LINE INSULATORS".
    Pending
Activities

Supervision

Thesis Title
Role 		Degree Subject (Type)
Institution / Organization
2023/08/01 - 2023/12/31 Procura computacional de materiais 2D
Co-supervisor
2023/08/01 - 2023/12/31 Implementação do método de Minima Hopping em Python
Co-supervisor
2023/08/01 - 2023/12/31 Descoberta computacional de novos materiais
Co-supervisor
2023/08/01 - 2023/12/31 Métodos de machine learning em ciência de materiais
Co-supervisor
2022/09/01 - 2023/09/30 Ab initio search for ductile superconductors
Co-supervisor
 Física (Master)
Universidade de Coimbra, Portugal
2023/07/10 - 2023/08/09 Programa de Estágio de verão
Supervisor
2022/05/01 - 2022/09/30 Computational discovery of new materials
Co-supervisor
2022/05/01 - 2022/09/30 Benchmarking exchange and correlation functionals for atoms
Co-supervisor
2021/09/01 - 2022/09/30 Calculation of superconducting properties of materials
Co-supervisor
 Física (Master)
Universidade de Coimbra, Portugal
2021/09/01 - 2022/09/30 Computational Materials Screening Using Machine Learning Methods
Co-supervisor
 Física (Master)
Universidade de Coimbra, Portugal
2021/09/01 - 2022/09/30 Phase diagram of high-pressure H-C-S and related ternary compounds
Co-supervisor
 Física (Master)
Universidade de Coimbra, Portugal

Course / Discipline taught

Academic session Degree Subject (Type) Institution / Organization
2022/09/01 - 2024/02/04 Estrutura Electrónica e Modelação Computacional Mestrado em Física Universidade de Coimbra Departamento de Física, Portugal
2021/09/01 - 2022/02/01 Computers and Programming Física (Licenciatura) Universidade de Coimbra, Portugal
2020/09/09 - 2022/02/01 Data Science in Physics Engenharia e Ciência de Dados (Mestrado integrado) Universidade de Coimbra, Portugal

Journal scientific committee

Journal title (ISSN) Publisher
2020/05/09 - Current npj Computational Materials