| 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 | 404 | 2017 |
| 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 | 363 | 2020 |
| 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 | 341 | 2019 |
| 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 | 126 | 2023 |
| 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 | 77 | 2020 |
| 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 | 54 | 2021 |
| Local hybrid density functional for interfaces P Borlido, MAL Marques, S Botti Journal of Chemical Theory and Computation 14 (2), 939-947, 2018 | 41 | 2018 |
| The ground state of two-dimensional silicon P Borlido, C Roedl, MAL Marques, S Botti 2D Materials 5 (3), 035010, 2018 | 33 | 2018 |
| 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 | 31 | 2017 |
| From pseudo-direct hexagonal germanium to direct silicon-germanium alloys P Borlido, JR Suckert, J Furthmüller, F Bechstedt, S Botti, C Rödl arXiv preprint arXiv:2105.01980, 2021 | 30 | 2021 |
| Structural prediction of two-dimensional materials under strain P Borlido, C Steigemann, NN Lathiotakis, MAL Marques, S Botti 2D Materials 4 (4), 045009, 2017 | 27 | 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 | 20 | 2019 |
| Searching for ductile superconducting Heusler X2YZ compounds N Hoffmann, TFT Cerqueira, P Borlido, A Sanna, J Schmidt, MAL Marques npj Computational Materials 9 (1), 138, 2023 | 14 | 2023 |
| 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 | 13 | 2020 |
| 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 | 11 | 2023 |
| 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 | 10 | 2022 |
| High-refractive-index materials screening from machine learning and ab initio methods PJMA Carriço, M Ferreira, TFT Cerqueira, F Nogueira, P Borlido Physical Review Materials 8 (1), 015201, 2024 | 9 | 2024 |
| Assessing Exchange-Correlation Functionals for Accurate Densities of Solids A Aouina, P Borlido, MAL Marques, S Botti Journal of Chemical Theory and Computation 20 (24), 10852-10860, 2024 | 5 | 2024 |
| 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 | 5 | 2021 |
| Ab initio study of elastic, vibrational, and thermal properties of lonsdaleite alloys P Borlido, F Bechstedt, C Rödl, S Botti Physical Review Materials 10 (1), 014601, 2026 | | 2026 |
Silvana BottiRC Future Energy Materials and Systems & ICAMS, Faculty of Physics, Ruhr University Bochum, GermanyVerified email at rub.de
