most citedMicron-scale heterogeneous catalysis with Bayesian force fields from first principles and active learning

24 citations · 24 across the 1 of their papers we have counts for

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1 paper

physics.comp-ph2022★ 24 cited

Micron-scale heterogeneous catalysis with Bayesian force fields from first principles and active learning

Anders Johansson, Yu Xie, Cameron J. Owen +4

Quantum-mechanically accurate reactive molecular dynamics (MD) at the scale of billions of atoms has been achieved for the heterogeneous catalytic system of H/Pt(111) using the…