Coupled Cluster Molecular Dynamics of Condensed Phase Systems Enabled by Machine Learning Potentials: Liquid Water Benchmark
Author:
Funder
Deutsche Forschungsgemeinschaft
Germany’s Excellence Strategy
Publisher
American Physical Society (APS)
Subject
General Physics and Astronomy
Link
http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.129.226001/fulltext
Reference97 articles.
1. Many-fermion theory in expS- (or coupled cluster) form
2. The Coupled Cluster Method
3. Coupled-cluster theory in quantum chemistry
4. Ground-State Properties of Crystalline Ice from Periodic Hartree-Fock Calculations and a Coupled-Cluster-Based Many-Body Decomposition of the Correlation Energy
5. Towards an exact description of electronic wavefunctions in real solids
Cited by 24 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. Combining state-of-the-art quantum chemistry and machine learning make gold standard potential energy surfaces accessible for medium-sized molecules;Artificial Intelligence Chemistry;2024-06
2. Machine Learning Potentials with the Iterative Boltzmann Inversion: Training to Experiment;Journal of Chemical Theory and Computation;2024-02-02
3. Modeling Chemical Exfoliation of Non-van der Waals Chromium Sulfides by Machine Learning Interatomic Potentials and Monte Carlo Simulations;The Journal of Physical Chemistry C;2024-01-10
4. Best-of-Both-Worlds Predictive Approach to Dissociative Chemisorption on Metals;The Journal of Physical Chemistry Letters;2024-01-03
5. AlF–AlF Reaction Dynamics between 200 K and 1000 K: Reaction Mechanisms and Intermediate Complex Characterization;Molecules;2023-12-31
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