| 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 | 274 | 2017 |
| 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 | 183 | 2019 |
| 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), 96, 2020 | 173 | 2020 |
| 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 | 30 | 2020 |
| The ground state of two-dimensional silicon P Borlido, C Rödl, MAL Marques, S Botti 2D Materials 5 (3), 035010, 2018 | 30 | 2018 |
| 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), 2021 | 28 | 2021 |
| Local hybrid density functional for interfaces P Borlido, MAL Marques, S Botti Journal of Chemical Theory and Computation 14 (2), 939-947, 2018 | 22 | 2018 |
| Structural prediction of two-dimensional materials under strain P Borlido, C Steigemann, NN Lathiotakis, MAL Marques, S Botti 2D Materials 4 (4), 045009, 2017 | 22 | 2017 |
| 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), 43611, 2017 | 19 | 2017 |
| Structural prediction of stabilized atomically thin tin layers P Borlido, AW Huran, MAL Marques, S Botti npj 2D Materials and Applications 3 (1), 21, 2019 | 13 | 2019 |
| 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 | 9 | 2020 |
| 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 | 8 | 2021 |
| Machine‐Learning‐Assisted Determination of the Global Zero‐Temperature Phase Diagram of Materials J Schmidt, N Hoffmann, HC Wang, P Borlido, PJMA Carriço, ... Advanced Materials 35 (22), 2210788, 2023 | 6 | 2023 |
| 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 | 4 | 2021 |
| Computational screening of materials with extreme gap deformation potentials P Borlido, J Schmidt, HC Wang, S Botti, MAL Marques npj Computational Materials 8 (1), 156, 2022 | 2 | 2022 |
| Searching for ductile superconducting Heusler X2YZ compounds N Hoffmann, TFT Cerqueira, P Borlido, A Sanna, J Schmidt, MAL Marques arXiv preprint arXiv:2306.04439, 2023 | | 2023 |
| Ensemble averages of ab initio optical, transport, and thermoelectric properties of hexagonal alloys P Borlido, F Bechstedt, S Botti, C Rödl Physical Review Materials 7 (1), 014602, 2023 | | 2023 |
| 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 |
Silvana BottiRC-FEMS and Faculty of Physics, Ruhr University Bochum, GermanyVerified email at rub.de
