2 papers
physics.comp-ph2026
Bridging Quantum Mechanics to Organic Liquid Properties via a Universal Force Field
Tianze Zheng, Xingyuan Xu, Zhi Wang +10
Molecular dynamics (MD) simulations are essential tools for unraveling atomistic insights into the structure and dynamics of condensed-phase systems. However, the universal and acc…
physics.chem-ph2025
Accelerated Machine Learning Force Field for Predicting Thermal Conductivity of Organic Liquids
Wei Feng, Siyuan Liu, Hongyi Wang +11
The thermal conductivity of organic liquids is a vital parameter influencing various industrial and environmental applications, including energy conversion, electronics cooling, an…