Atomistic simulations of thermodynamic properties with nuclear quantum effects of liquid gallium from first principles

Atomistic simulations of thermodynamic properties with nuclear quantum effects of liquid gallium from first principles

Abstract Determining thermodynamic properties in disordered systems remains a formidable challenge because of the difficulty in incorporating nuclear quantum effects into large‐scale and nonperiodic atomic simulations. In this study, we employ a machine learning deep potential model in conjunction w...

Full description

Saved in:
Bibliographic Details
Main Authors: Hongyu Wu, Wenliang Shi, Ri He, Guoyong Shi, Chunxiao Zhang, Jinyun Liu, Zhicheng Zhong, Runwei Li
Format: Article
Language:English
Published: Wiley-VCH 2025-06-01
Series:Materials Genome Engineering Advances
Subjects:
liquid metals
machine learning
molecular dynamics
nuclear quantum effects
thermodynamic properties
Online Access:https://doi.org/10.1002/mgea.70016
Tags: Add Tag
No Tags, Be the first to tag this record!

Internet

https://doi.org/10.1002/mgea.70016

Similar Items