Pedro Borlido

University of Coimbra — Portugal

Materials Science · Physical Sciences

12h-index1.3kcitations27works6.52yr avg
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Research Topics

Machine Learning in Materials Science(15), 2D Materials and Applications(7), Graphene research and applications(6), Advanced Thermoelectric Materials and Devices(6), Heusler alloys: electronic and magnetic properties(5)

Publications27 total

Assessing Exchange-Correlation Functionals for Accurate Densities of Solids
Journal of Chemical Theory and Computation·2024· 4 citedOpen Access
High-refractive-index materials screening from machine learning and <i>ab initio</i> methods
Physical Review Materials·2024· 9 cited
Searching for ductile superconducting Heusler X2YZ compounds
npj Computational Materials·2023· 18 citedOpen Access
Searching for ductile superconducting Heusler X2YZ compounds
arXiv (Cornell University)·2023· 1 citedOpen Access
Machine‐Learning‐Assisted Determination of the Global Zero‐Temperature Phase Diagram of Materials
Advanced Materials·2023· 81 citedOpen Access
Ensemble averages of <i>ab initio</i> optical, transport, and thermoelectric properties of hexagonal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Si</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mi>Ge</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math> alloys
Physical Review Materials·2023· 7 citedOpen Access
Large-scale machine-learning-assisted exploration of the whole materials space
arXiv (Cornell University)·2022· 8 citedOpen Access
Computational screening of materials with extreme gap deformation potentials
npj Computational Materials·2022· 9 citedOpen Access
Ensemble averages of ab initio optical, transport, and thermoelectric properties of hexagonal Si$_x$Ge$_{1-x}$ alloys
arXiv (Cornell University)·2022· 2 citedOpen Access
From pseudo-direct hexagonal germanium to direct silicon-germanium alloys
Physical Review Materials·2021· 3 citedOpen Access
Bandgap of two-dimensional materials: Thorough assessment of modern exchange–correlation functionals
The Journal of Chemical Physics·2021Open Access
Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals
arXiv (Cornell University)·2021· 49 citedOpen Access
From pseudo-direct hexagonal germanium to direct silicon-germanium\n alloys
arXiv (Cornell University)·2021Open Access
A Global-Optimization Study of the Phase Diagram of Free-Standing Hydrogenated Two-Dimensional Silicon
The Journal of Physical Chemistry C·2021· 5 cited
Bishop's hat silicene: a planar square silicon bilayer decorated with adatoms
Physical Chemistry Chemical Physics·2021
Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning
npj Computational Materials·2020· 314 citedOpen Access
Validation of Pseudopotential Calculations for the Electronic Band Gap of Solids
Journal of Chemical Theory and Computation·2020· 1 citedOpen Access
Validation of Pseudopotential Calculations for the\nElectronic Band Gap of Solids
arXiv (Cornell University)·2020Open Access
Novel two-dimensional silicon–carbon binaries by crystal structure prediction
Physical Chemistry Chemical Physics·2020· 13 cited
Large-Scale Benchmark of Exchange–Correlation Functionals for the Determination of Electronic Band Gaps of Solids
Journal of Chemical Theory and Computation·2019· 283 citedOpen Access
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Frequent Co-authors

Silvana Botti(23), Miguel A. L. Marques(20), Jonathan Schmidt(7), Fabien Tran(6), Tiago F. T. Cerqueira(5), Claudia Rödl(5), Ahmad W. Huran(4), Noah Hoffmann(4), Jan Doumont(4), F. Bechstedt(4), Hai‐Chen Wang(3), Leila Kalantari(2), Peter Blaha(2), Tomáš Rauch(2), Abhilash Patra(2), Subrata Jana(2), Prasanjit Samal(2), Antonio Sanna(2), Pedro J. M. A. Carriço(2), Jens Renè Suckert(2)