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 2 of their papers we have counts for

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2 papers

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…

physics.chem-ph2024

Inelastic Neutron Scattering of Hydrogen in Palladium Studied by Semiclassical Dynamics

Motoyuki Shiga, Bo Thomsen, Hajime Kimizuka

Inelastic neutron scattering (INS) spectra of hydrogen in face-centered cubic palladium have been calculated considering nuclear quantum effects (NQE) at finite temperatures. The c…