NIST Interatomic Potentials Repository

This repository provides a source for
interatomic potentials (force fields), related files, and evaluation tools to help researchers
obtain interatomic models and judge their quality and applicability. Users are encouraged to
download and use interatomic potentials, with proper acknowledgement, and developers are
welcome to contribute potentials for inclusion. The files provided have been submitted or
vetted by their developers and appropriate references are provided. All classes of potentials
(e.g., MEAM, ADP, COMB, Reax, EAM, etc.) and materials are welcome. Interatomic potentials
and/or related files are currently available for various metals, semiconductors, oxides, and
carbon-containing systems.

本仓库提供了原子间势（interatomic potentials，又称力场（force fields））、配套文件及评估工具，旨在助力研究人员获取原子间相互作用模型，并评判其质量与适用性。欢迎研究人员在合规注明来源的前提下下载并使用本仓库中的原子间势，同时诚挚邀请开发者贡献可收录的原子间势资源。本仓库提供的所有文件均由开发者提交或经其审核，并附带相应的参考文献。各类原子间势模型（如MEAM、ADP、COMB、Reax、EAM等）与材料体系均欢迎收录。目前本仓库已涵盖多种金属、半导体、氧化物及含碳体系的原子间势及相关文件资源。

搜集汇总

背景与挑战

背景概述

NIST Interatomic Potentials Repository是一个公开的原子间势能（力场）资源库，提供多种材料类型和势能类别的相关文件及评估工具，旨在帮助研究人员获取原子间模型并评估其质量和适用性。数据集属于CHIPS METIS Data Science Theme，鼓励用户下载使用并适当引用。