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Since September 2021 I am a post-doc researcher at the University of Coimbra. From 2015 to 2019, I did my PhD at the University of Jena, under supervision of Prof. Dr. Silvana Botti, having completed one year of post-doc at the same institution. From 2009 to 2014 I completed my bachelor and master studies in physics at the University of Coimbra. My research focus lies on structure prediction methods, especially applied to low-dimension systems.
Identification

Personal identification

Full name
Pedro Miguel de Castro Borlido

Citation names

  • Borlido, Pedro
  • P.M.C. Borlido
  • Pedro M. C. Borlido

Author identifiers

Ciência ID
121A-6A26-CAFE
ORCID iD
0000-0001-7675-3111
Google Scholar ID
KMyi0dEAAAAJ&hl

Knowledge fields

  • Exact Sciences - Physical Sciences

Languages

Language Speaking Reading Writing Listening Peer-review
Portuguese (Mother tongue)
English
Spanish; Castilian Upper intermediate (B2) Upper intermediate (B2) Elementary (A2) Upper intermediate (B2)
German Elementary (A2) Elementary (A2) Elementary (A2) Elementary (A2)
Education
Degree Classification
2015/01/05 - 2019/12/10
Concluded
 Física (Doutoramento)
Friedrich Schiller Universität Jena Institut für Festkörpertheorie und -optik, Germany
2012 - 2014/10/22
Concluded
 Física (Mestrado)
Major in Física da Matéria Condensada
Universidade de Coimbra Departamento de Física, Portugal
 18/20
2009 - 2012/06/26
Concluded
 Física (Licenciatura)
Universidade de Coimbra Departamento de Física, Portugal
 18/20
Affiliation

Science

Category
Host institution 		Employer
2021/09/01 - Current Researcher (Research) Universidade de Coimbra, Portugal
Universidade de Coimbra Centro de Física, Portugal
2020/01/01 - 2021/06/30 Postdoc (Research) Friedrich Schiller Universität Jena Institut für Festkörpertheorie und -optik, Germany
Projects

Contract

Designation Funders
2023/01/01 - 2024/06/30 Pesquisa ab initio de materials supercondutores
10.54499/2022.09975.PTDC
Researcher
Fundação para a Ciência e a Tecnologia
Ongoing

Other

Designation Funders
2025/08/29 - 2026/08/29 Ab initio search of opto-electronics' materials
2024.07090.CPCA
Researcher
Universidade de Coimbra Centro de Física, Portugal
 Fundação para a Ciência e a Tecnologia
Ongoing
2024/05/23 - 2025/05/23 High-throughput search for efficient thermoelectrics (2023.11003.CPCA.A2)
2023.11003.CPCA.A2
Principal investigator
Universidade de Coimbra Centro de Física, Portugal
 Fundação para a Ciência e a Tecnologia
Ongoing
2023/03/01 - 2024/02/29 Ab initio search for practical superconductors
2022.15822.CPCA
Principal investigator
Universidade de Coimbra Centro de Física, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
Outputs

Publications

Conference poster
  1. Borlido, Pedro. "High-throughput search of B-C-X superconductors". Paper presented in CMD31, 2024.
  2. Borlido, Pedro. "Computational Structure Prediction of Low-Dimension Systems". Paper presented in FÍSICA 2022 – 23ª Conferência Nacional de Física e 32º Encontro Ibérico para o Ensino da Física, 2022.
  3. 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.
  4. Borlido, Pedro. "Structure predicion of 2D systems under strain: carbon and silicon". Paper presented in 14th Young Researchers' Meeting, 2017.
  5. Borlido, Pedro. "Band Offsets at Si-SiO2 Interfaces from an Hybrid Functional with Non-local Density-dependent Mixing". Paper presented in HoW exciting! Hands-on Workshop on Excitations in Solids, 2016.
Journal article
  1. Aouina, Ayoub; Borlido, Pedro; Marques, Miguel A. L.; Botti, Silvana. "Assessing Exchange-Correlation Functionals for Accurate Densities of Solids". Journal of Chemical Theory and Computation 20 24 (2024): 10852-10860. https://doi.org/10.1021/acs.jctc.4c01042.
    10.1021/acs.jctc.4c01042
  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): https://doi.org/10.1103/PhysRevMaterials.8.015201.
    10.1103/PhysRevMaterials.8.015201
  3. Hoffmann, Noah; Cerqueira, Tiago F. T.; Borlido, Pedro; Sanna, Antonio; Schmidt, Jonathan; Marques, Miguel A. L.. "Searching for ductile superconducting Heusler X2YZ compounds". npj Computational Materials 9 1 (2023): http://dx.doi.org/10.1038/s41524-023-01084-7.
    10.1038/s41524-023-01084-7
  4. 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
  5. Borlido, Pedro; Bechstedt, Friedhelm; Botti, Silvana; Rödl, Claudia. "Ensemble averages of ab initio optical, transport, and thermoelectric properties of hexagonal SixGe1-x alloys". arXiv (2023): https://arxiv.org/abs/2205.12612.
    Under revision
  6. Schmidt, Jonathan; Noah Hoffmann; Hai-Chen Wang; Borlido, Pedro; Pedro J. M. A. Carriço; Tiago F. T. Cerqueira; Silvana Botti; Miguel A. L. Marques. "Large-scale machine-learning-assisted exploration of the whole materials space". arXiv (2023): https://arxiv.org/abs/2210.00579.
    Under revision
  7. Borlido, Pedro; Schmidt, Jonathan; Wang, Hai-Chen; Botti, Silvana; Marques, Miguel A. L.. "Computational screening of materials with extreme gap deformation potentials". npj Computational Materials 8 1 (2022): http://dx.doi.org/10.1038/s41524-022-00811-w.
    10.1038/s41524-022-00811-w
  8. Borlido, Pedro; Suckert, Jens Renè; Furthmüller, Jürgen; Bechstedt, Friedhelm; Botti, Silvana; Rödl, Claudia. "From pseudo-direct hexagonal germanium to direct silicon-germanium alloys". Physical Review Materials 5 11 (2021): http://dx.doi.org/10.1103/physrevmaterials.5.114604.
    10.1103/physrevmaterials.5.114604
  9. Fabien Tran; Jan Doumont; Leila Kalantari; Peter Blaha; Tomáš Rauch; Pedro Borlido; Silvana Botti; et al. "Bandgap of two-dimensional materials: Thorough assessment of modern exchange–correlation functionals". The Journal of Chemical Physics (2021): https://doi.org/10.1063/5.0059036.
    10.1063/5.0059036
  10. Borlido, Pedro; Marques, Miguel A. L.; Botti, Silvana. "A Global-Optimization Study of the Phase Diagram of Free-Standing Hydrogenated Two-Dimensional Silicon". The Journal of Physical Chemistry C (2021): http://dx.doi.org/10.1021/acs.jpcc.0c10753.
    10.1021/acs.jpcc.0c10753
  11. Pedro Borlido; Miguel A. L. Marques; Silvana Botti. "Bishop's hat silicene: a planar square silicon bilayer decorated with adatoms". Physical Chemistry Chemical Physics (2021): https://doi.org/10.1039/D1CP01316E.
    10.1039/D1CP01316E
  12. Borlido, Pedro; Schmidt, Jonathan; Huran, Ahmad W.; Tran, Fabien; Marques, Miguel A. L.; Botti, Silvana. "Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning". npj Computational Materials 6 1 (2020): http://dx.doi.org/10.1038/s41524-020-00360-0.
    10.1038/s41524-020-00360-0
  13. Borlido, Pedro; Doumont, Jan; Tran, Fabien; Marques, Miguel A. L.; Botti, Silvana. "Validation of Pseudopotential Calculations for the Electronic Band Gap of Solids". Journal of Chemical Theory and Computation 16 6 (2020): 3620-3627. http://dx.doi.org/10.1021/acs.jctc.0c00214.
    10.1021/acs.jctc.0c00214
  14. Borlido, Pedro; Huran, Ahmad W.; Marques, Miguel A. L.; Botti, Silvana. "Novel two-dimensional silicon–carbon binaries by crystal structure prediction". Physical Chemistry Chemical Physics 22 16 (2020): 8442-8449. http://dx.doi.org/10.1039/c9cp06942a.
    10.1039/c9cp06942a
  15. Borlido, Pedro; Aull, Thorsten; Huran, Ahmad W.; Tran, Fabien; Marques, Miguel A. L.; Botti, Silvana. "Large-Scale Benchmark of Exchange–Correlation Functionals for the Determination of Electronic Band Gaps of Solids". Journal of Chemical Theory and Computation 15 9 (2019): 5069-5079. http://dx.doi.org/10.1021/acs.jctc.9b00322.
    10.1021/acs.jctc.9b00322
  16. Borlido, Pedro; Huran, Ahmad W.; Marques, Miguel A. L.; Botti, Silvana. "Structural prediction of stabilized atomically thin tin layers". npj 2D Materials and Applications 3 1 (2019): http://dx.doi.org/10.1038/s41699-019-0103-9.
    10.1038/s41699-019-0103-9
  17. Borlido, Pedro; Rödl, Claudia; Marques, Miguel A L; Botti, Silvana. "The ground state of two-dimensional silicon". 2D Materials 5 3 (2018): 035010. http://dx.doi.org/10.1088/2053-1583/aab9ea.
    10.1088/2053-1583/aab9ea
  18. Borlido, Pedro; Marques, Miguel A. L.; Botti, Silvana. "Local Hybrid Density Functional for Interfaces". (2017):
    10.1021/acs.jctc.7b00853
  19. Borlido, Pedro; Steigemann, Conrad; Lathiotakis, Nektarios N; Marques, Miguel A L; Botti, Silvana. "Structural prediction of two-dimensional materials under strain". 2D Materials 4 4 (2017): 045009. http://dx.doi.org/10.1088/2053-1583/aa85c6.
    10.1088/2053-1583/aa85c6
  20. Liu, Dongmei; Li, Xinzhong; Borlido, Pedro Miguel de Castro; Botti, Silvana; Schmechel, Roland; Rettenmayr, Markus. "Anisotropic layered Bi2Te3-In2Te3 composites: control of interface density for tuning of thermoelectric properties". Scientific Reports 7 1 (2017): http://dx.doi.org/10.1038/srep43611.
    10.1038/srep43611
  21. "Predicting the Thermodynamic Stability of Solids Combining Density Functional Theory and Machine Learning". Chemistry of Materials 29 12 (2017): 5090-5103. https://doi.org/10.1021/acs.chemmater.7b00156.
    10.1021/acs.chemmater.7b00156
Preprint
  1. "From pseudo-direct hexagonal germanium to direct silicon-germanium alloys". 2021.
Activities

Oral presentation

Presentation title Event name
Host (Event location)
2022/11/10 Ab-initio study of the optical and electronic properties of hexagonal Si/Ge alloys Rank Symposium on Nanowire Photonics
Rank Symposium (Grasmere, United Kingdom)
2018/09/10 Structural prediction of free-standing 2D materials 23rd ETSF Workshop on Electronic Excitations
University of Milan (Milão, Italy)
2018/03/11 Structural prediction of free-standing 2-D materials Deutsche Physikalische Gesellschaft - Frühjahrstagungen
(Berlim, Germany)
2017/03/19 Density-based local hybrid functional for interfaces Deutsche Physikalische Gesellschaft - Frühjahrstagungen
(Dresden, Germany)

Supervision

Thesis Title
Role 		Degree Subject (Type)
Institution / Organization
2023/08/01 - 2023/12/31 Procura computacional de materiais 2D
Co-supervisor
Universidade de Coimbra Departamento de Física, Portugal
2023/08/01 - 2023/12/31 Implementação do método de Minima Hopping em Python
Co-supervisor
Universidade de Coimbra Departamento de Física, Portugal
2023/08/01 - 2023/12/31 Descoberta computacional de novos materiais
Co-supervisor
Universidade de Coimbra Departamento de Física, Portugal
2022/09/01 - 2023/09/30 Ab initio search for ductile superconductors
Co-supervisor
 Física (Master)
Universidade de Coimbra, Portugal
2023/07/10 - 2023/09/08 Programa de Estágio de Verão
Supervisor
Universidade de Coimbra Departamento de Física, Portugal
2021/09 - 2022/08 Ab initio studies of Bi2Se3, Bi2Te3 and Bi2Se3-xTex
Co-supervisor
 Física (Master)
Universidade de Coimbra Departamento de Física, Portugal

Course / Discipline taught

Academic session Degree Subject (Type) Institution / Organization
2024/09/12 - 2025/02/01 Estrutura Electrónica e Modelação Computacional Mestrado em Física (Mestrado) Universidade de Coimbra Departamento de Física, Portugal
2023/09/11 - 2023/12/16 Estrutura Electrónica e Modelação Computacional Mestrado em Física (Mestrado) Universidade de Coimbra Departamento de Física, Portugal
2022/09/12 - 2022/12/17 Estrutura Electrónica e Modelação Computacional Física (Mestrado) Universidade de Coimbra Departamento de Física, Portugal
2021/09/20 - 2022/02/10 Estrutura Electrónica e Modelação Computacional Mestrado em Física (Mestrado) Universidade de Coimbra, Portugal
2017/10/02 - 2017/10/06 Introductory Math Course Introductory Math Course (Master) Friedrich-Schiller-Universität Jena, Germany
2015 - 2016 Preparatory Course of Optics (Übung; Winter semester 2015/2016) Master of Photonics (Master) Friedrich-Schiller-Universität Jena, Germany

Journal scientific committee

Journal title (ISSN) Publisher
2019/10/01 - 2019/11/30 NPJ Computational Materials NPJ
2019/02/01 - 2019/02/28 2D Materials IOPScience