2 papers
physics.chem-ph2026
Understanding the Density Maximum of Water with Machine Learned Potentials
Yizhi Song, Renxi Liu, Chunyi Zhang +5
After melting, at ambient pressure, the density of water continues to increase with temperature until it reaches a maximum around 4 °C. For nearly a century, this phenomenon has b…
physics.chem-ph2025
Efficient Long-Range Machine Learning Force Fields for Liquid and Materials Properties
John L. Weber, Rishabh D. Guha, Garvit Agarwal +10
Machine learning force fields (MLFFs) have emerged as a sophisticated tool for cost-efficient atomistic simulations approaching DFT accuracy, with recent message passing MLFFs able…