Machine Learning Force Fields: Construction, Validation, and Outlook
Author:
Affiliation:
1. Department of Chemical & Biomolecular Engineering, ‡Department of Materials Science & Engineering, and §Department of Materials Science, University of Connecticut, Storrs, Connecticut 06269, United States
Funder
Office of Naval Research
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
http://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.6b10908
Reference41 articles.
1. Tadmor, E. B.; Miller, R. E.Modeling Materials: Continuum, Atomistic and Multiscale Techniques;Cambridge University Press:Cambridge, U.K., 2012; pp153–300.
2. From the computer to the laboratory: materials discovery and design using first-principles calculations
3. Perspective on density functional theory
4. Density functional theory in materials science
5. Hill, J.R.; Freeman, C. M.; Subramanian, L.Use of Force Fields in Materials Modeling;John Wiley and Sons, Inc.:New York, 2007; pp141–216.
Cited by 357 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Determining the thermal conductivity and phonon behavior of SiC materials with quantum accuracy via deep learning interatomic potential model;Journal of Nuclear Materials;2024-04
2. Machine Learning Potentials with the Iterative Boltzmann Inversion: Training to Experiment;Journal of Chemical Theory and Computation;2024-02-02
3. Pretraining Strategies for Structure Agnostic Material Property Prediction;Journal of Chemical Information and Modeling;2024-02-01
4. Simulations of disordered matter in 3D with the morphological autoregressive protocol (MAP) and convolutional neural networks;The Journal of Chemical Physics;2024-01-08
5. Active machine learning model for the dynamic simulation and growth mechanisms of carbon on metal surface;Nature Communications;2024-01-06
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3