most citedAb Initio Melting Properties of Water and Ice from Machine Learning Potentials

2 citations · 4 across the 2 of their papers we have counts for

collaborators

3 papers

physics.chem-ph2026

fix pimd/langevin: An Efficient Implementation of Path Integral Molecular Dynamics in LAMMPS

Yifan Li, Axel Gomez, Kehan Cai +10

Path integral molecular dynamics (PIMD), which maps a quantum particle onto a fictitious classical system of ring polymers and propagates the "beads" of this extended classical sys…

physics.chem-ph2025★ 2 cited

Assessment of First-Principles Methods in Modeling the Melting Properties of Water

Yifan Li, Bingjia Yang, Chunyi Zhang +5

First-principles simulations have played a crucial role in deepening our understanding of the thermodynamic properties of water, and machine learning potentials (MLPs) trained on t…

physics.chem-ph2025★ 2 cited

Ab Initio Melting Properties of Water and Ice from Machine Learning Potentials

Yifan Li, Bingjia Yang, Chunyi Zhang +5

Liquid water exhibits several important anomalous properties in the vicinity of the melting temperature () of ice Ih, including a higher density than ice and a dens…