Embedding Quantum Statistical Excitations in a Classical Force Field
Author:
Affiliation:
1. Department of Chemistry and Chemical Biology, Department of Physics and Astronomy, and Center for Quantum Information and Control, University of New Mexico, Albuquerque, New Mexico 87131, United States
Funder
Defense Threat Reduction Agency
National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c00164
Reference179 articles.
1. All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins
2. CHARMM: The biomolecular simulation program
3. CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields
4. A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
5. Development and testing of a general amber force field
Cited by 3 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. Molecular Simulations of Aqueous Electrolytes: Role of Explicit Inclusion of Charge Transfer into Force Fields;The Journal of Physical Chemistry B;2021-11-22
2. Increasing Efficiency of Nonadiabatic Molecular Dynamics by Hamiltonian Interpolation with Kernel Ridge Regression;The Journal of Physical Chemistry A;2021-10-12
3. Molecular Dynamics and Machine Learning in Catalysts;Catalysts;2021-09-19
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