most citedLearned Force Fields Are Ready For Ground State Catalyst Discovery

15 citations · 15 across the 1 of their papers we have counts for

collaborators

1 paper

cond-mat.mtrl-sci2022★ 15 cited

Learned Force Fields Are Ready For Ground State Catalyst Discovery

Michael Schaarschmidt, Morgane Riviere, Alex M. Ganose +6

We present evidence that learned density functional theory (``DFT'') force fields are ready for ground state catalyst discovery. Our key finding is that relaxation using forces fro…