most citedSelf-learning path integral hybrid Monte Carlo with mixed ab initio and machine learning potentials for modeling nuclear quantum effects in water

2 citations · 2 across the 1 of their papers we have counts for

collaborators
Showing physics.chem-phShow all

1 paper · 1 filter

physics.chem-ph2024★ 2 cited

Self-learning path integral hybrid Monte Carlo with mixed ab initio and machine learning potentials for modeling nuclear quantum effects in water

Bo Thomsen, Yuki Nagai, Keita Kobayashi +2

The introduction of machine learned potentials (MLPs) has greatly expanded the space available for studying Nuclear Quantum Effects computationally with ab initio path integral (PI…