RESEARCH PAPER · The Journal of Chemical Physics · 2023
TBMaLT, a flexible toolkit for combining tight-binding and machine learning
Adam McSloy, Guozheng Fan, Wenbo Sun, Christian Hölzer, Marvin Friede, Sebastian Ehlert, Nils-Erik Schütte, Stefan Grimme, Thomas Frauenheim, Bálint Aradi
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