| TBMaLT, a flexible toolkit for combining tight-binding and machine learning A McSloy, G Fan, W Sun, C Hölzer, M Friede, S Ehlert, NE Schütte, ... The Journal of Chemical Physics 158 (3), 2023 | 26 | 2023 |
| Do Optimally Tuned Range-Separated Hybrid Functionals Require a Reparametrization of the Dispersion Correction? It Depends M Friede, S Ehlert, S Grimme, JM Mewes Journal of Chemical Theory and Computation 19 (22), 8097-8107, 2023 | 15 | 2023 |
| Extension of the D3 and D4 London dispersion corrections to the full actinides series L Wittmann, I Gordiy, M Friede, B Helmich-Paris, S Grimme, A Hansen, ... Physical Chemistry Chemical Physics 26 (32), 21379-21394, 2024 | 7 | 2024 |
| dxtb—An efficient and fully differentiable framework for extended tight-binding M Friede, C Hölzer, S Ehlert, S Grimme The Journal of Chemical Physics 161 (6), 2024 | 3 | 2024 |
| Overview on Building Blocks and Applications of Efficient and Robust Extended Tight Binding A Katbashev, M Stahn, T Rose, V Alizadeh, M Friede, C Plett, P Steinbach, ... | | 2025 |
Stefan GrimmeProfessor Universität BonnPatvirtintas el. paštas thch.uni-bonn.de
