| Machine-learning prediction of infrared spectra of interstellar polycyclic aromatic hydrocarbons P Kovács, X Zhu, J Carrete, GKH Madsen, Z Wang The Astrophysical Journal 902 (2), 100, 2020 | 20 | 2020 |
| Comparative study of the PBE and SCAN functionals: The particular case of alkali metals P Kovács, F Tran, P Blaha, GKH Madsen The Journal of Chemical Physics 150 (16), 2019 | 19 | 2019 |
| Orbital-free approximations to the kinetic-energy density in exchange-correlation MGGA functionals: Tests on solids F Tran, P Kovács, L Kalantari, GKH Madsen, P Blaha The Journal of Chemical Physics 149 (14), 2018 | 19 | 2018 |
| What is the optimal mGGA exchange functional for solids? P Kovács, F Tran, P Blaha, GKH Madsen The Journal of Chemical Physics 157 (9), 2022 | 9 | 2022 |
| Machine-learning Interpretation of the Correlation between Infrared Emission Features of Interstellar Polycyclic Aromatic Hydrocarbons Z Meng, X Zhu, P Kovács, E Liang, Z Wang The Astrophysical Journal 922 (2), 101, 2021 | 5 | 2021 |
| Similarity Clustering for Representative Sets of Inorganic Solids for Density Functional Testing P Kovács, F Tran, A Hanbury, GKH Madsen Journal of Chemical Theory and Computation 18 (1), 441-447, 2021 | 2 | 2021 |
| LoGAN: Local generative adversarial network for novel structure prediction P Kovács, E Heid, GKH Madsen | | 2024 |
| Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches R Wanzenböck, F Buchner, P Kovács, GKH Madsen, J Carrete Computer Physics Communications 297, 109065, 2024 | | 2024 |
| Origin of the success of mGGAs for bandgaps P Kovács, P Blaha, GKH Madsen The Journal of Chemical Physics 159 (24), 2023 | | 2023 |
| Machine learning application for DFT exchange functionals P Kovács Technische Universität Wien, 2021 | | 2021 |
| Kinetic Energy Dependent Functionals in Density Functional Theory G Madsen, P Kovacs, F Tran, P Blaha | | 2019 |
