most citedCritical assessment of machine-learned repulsive potentials for the Density Functional based Tight-Binding method: a case study for pure silicon

6 citations · 6 across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2021★ 6 cited

Critical assessment of machine-learned repulsive potentials for the Density Functional based Tight-Binding method: a case study for pure silicon

Dylan Bissuel, Tristan Albaret, Thomas A. Niehaus

We investigate the feasability of improving the semi-empirical density functional based tight-binding method (DFTB) through a general and transferable many-body repulsive potential…