TBMaLT, a flexible toolkit for combining tight-binding and machine learning
McSloy, A., Fan, G., Sun, W., Hölzer, C., Friede, M., Ehlert, S., Schütte, N.-E., Grimme, S., Frauenheim, T., Aradi, B.
Published in The Journal of chemical physics (21.01.2023)
Published in The Journal of chemical physics (21.01.2023)
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