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20242026
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

collaborators

2 papers

physics.chem-ph2025

Computation of the heat capacity of water from first principles

Motoyuki Shiga, Jan Elsner, Jörg Behler +1

Water is a unique solvent with many remarkable properties. An example is its exceptionally high heat capacity, which plays an important role in storing and transporting thermal ene…

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…