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Pedro Borlido
Pedro Borlido
Verified email at uni-jena.de
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Predicting the thermodynamic stability of solids combining density functional theory and machine learning
J Schmidt, J Shi, P Borlido, L Chen, S Botti, MAL Marques
Chemistry of Materials 29 (12), 5090-5103, 2017
2082017
Large-scale benchmark of exchange–correlation functionals for the determination of electronic band gaps of solids
P Borlido, T Aull, AW Huran, F Tran, MAL Marques, S Botti
Journal of chemical theory and computation 15 (9), 5069-5079, 2019
1292019
Exchange-correlation functionals for band gaps of solids: benchmark, reparametrization and machine learning
P Borlido, J Schmidt, AW Huran, F Tran, MAL Marques, S Botti
npj Computational Materials 6 (1), 1-17, 2020
992020
The ground state of two-dimensional silicon
P Borlido, C Rödl, MAL Marques, S Botti
2D Materials 5 (3), 035010, 2018
232018
Structural prediction of two-dimensional materials under strain
P Borlido, C Steigemann, NN Lathiotakis, MAL Marques, S Botti
2D Materials 4 (4), 045009, 2017
222017
Validation of pseudopotential calculations for the electronic band gap of solids
P Borlido, J Doumont, F Tran, MAL Marques, S Botti
Journal of chemical theory and computation 16 (6), 3620-3627, 2020
192020
Local hybrid density functional for interfaces
P Borlido, MAL Marques, S Botti
Journal of Chemical Theory and Computation 14 (2), 939-947, 2018
192018
Anisotropic layered Bi2Te3-In2Te3 composites: control of interface density for tuning of thermoelectric properties
D Liu, X Li, PMC Borlido, S Botti, R Schmechel, M Rettenmayr
Scientific Reports 7 (1), 1-13, 2017
182017
Bandgap of two-dimensional materials: Thorough assessment of modern exchange–correlation functionals
F Tran, J Doumont, L Kalantari, P Blaha, T Rauch, P Borlido, S Botti, ...
The Journal of Chemical Physics 155 (10), 104103, 2021
152021
Structural prediction of stabilized atomically thin tin layers
P Borlido, AW Huran, MAL Marques, S Botti
npj 2D Materials and Applications 3 (1), 1-5, 2019
122019
Novel two-dimensional silicon–carbon binaries by crystal structure prediction
P Borlido, AW Huran, MAL Marques, S Botti
Physical Chemistry Chemical Physics 22 (16), 8442-8449, 2020
52020
A global-optimization study of the phase diagram of free-standing hydrogenated two-dimensional silicon
P Borlido, MAL Marques, S Botti
The Journal of Physical Chemistry C 125 (11), 6298-6305, 2021
42021
From pseudo-direct hexagonal germanium to direct silicon-germanium alloys
P Borlido, JR Suckert, J Furthmüller, F Bechstedt, S Botti, C Rödl
Physical Review Materials 5 (11), 114604, 2021
22021
Computational screening of materials with extreme gap deformation potentials
P Borlido, J Schmidt, HC Wang, S Botti, MAL Marques
npj Computational Materials 8 (1), 1-10, 2022
2022
Ensemble averages of ab initio optical, transport, and thermoelectric properties of hexagonal SiGe alloys
P Borlido, F Bechstedt, S Botti, C Rödl
arXiv preprint arXiv:2205.12612, 2022
2022
Bishop's hat silicene: a planar square silicon bilayer decorated with adatoms
P Borlido, MAL Marques, S Botti
Physical Chemistry Chemical Physics 23 (31), 16942-16947, 2021
2021
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Articles 1–16