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Updated: Jun 13, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

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对于,氧和二氧化,一个统一的时刻张量潜力

Karim Zongo1, Hao Sun2, Claudiane Ouellet-Plamondon1

  • 1Département de génie de la construction, École de technologie supérieure, Université du Québec, Montréal, QC Canada.

npj computational materials
|September 16, 2024
PubMed
概括

一个新的机器学习潜力准确地描述了和二氧化的相互作用. 这种基于瞬间张量潜力框架的统一模型,为材料研究的ab initio方法提供了一个计算效率高的替代方案.

关键词:
电子设备 电子设备 电子设备固体和液体的结构.

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