普遍的原子间相互作用势在寻找晶体结构方面大放异彩

IF 18.8 1区计算机科学 Q1 COMPUTER SCIENCE, ARTIFICIAL INTELLIGENCE

Nature Machine Intelligence Pub Date : 2025-06-26 DOI:10.1038/s42256-025-01061-3

Ju Li

引用次数: 0

摘要

近年来，各种机器学习模型被开发出来用于发现晶体结构。Matbench Discovery，一个新的基准，提供了一种有效的方法来识别最有前途的架构。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Universal interatomic potentials shine in finding crystal structures

查看原文本刊更多论文

Universal interatomic potentials shine in finding crystal structures

Various machine learning models have been developed in recent years for the discovery of crystal structures. Matbench Discovery, a new benchmark, offers an efficient way to identify the most promising architectures.

求助全文

通过发布文献求助，成功后即可免费获取论文全文。去求助

来源期刊

Nature Machine Intelligence Multiple-

CiteScore

36.90

自引率

2.10%

发文量

127

期刊介绍： Nature Machine Intelligence is a distinguished publication that presents original research and reviews on various topics in machine learning, robotics, and AI. Our focus extends beyond these fields, exploring their profound impact on other scientific disciplines, as well as societal and industrial aspects. We recognize limitless possibilities wherein machine intelligence can augment human capabilities and knowledge in domains like scientific exploration, healthcare, medical diagnostics, and the creation of safe and sustainable cities, transportation, and agriculture. Simultaneously, we acknowledge the emergence of ethical, social, and legal concerns due to the rapid pace of advancements. To foster interdisciplinary discussions on these far-reaching implications, Nature Machine Intelligence serves as a platform for dialogue facilitated through Comments, News Features, News & Views articles, and Correspondence. Our goal is to encourage a comprehensive examination of these subjects. Similar to all Nature-branded journals, Nature Machine Intelligence operates under the guidance of a team of skilled editors. We adhere to a fair and rigorous peer-review process, ensuring high standards of copy-editing and production, swift publication, and editorial independence.