Car–Parrinello Monitor for More Robust Born–Oppenheimer Molecular Dynamics-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Car–Parrinello Monitor for More Robust Born–Oppenheimer Molecular Dynamics

Published:2019-07-18 Issue:8 Volume:15 Page:4454-4467
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Wang Lee-Ping¹^ORCID,Song Chenchen²³

Affiliation:

1. Department of Chemistry, University of California, 1 Shields Ave, Davis, California 95616, United States

2. Department of Chemistry and the PULSE Institute, Stanford University, Stanford, California 94305, United States

3. SLAC National Accelerator Laboratory, Menlo Park, California 94025, United States

Funder

National Institute of Allergy and Infectious Diseases

Stanford University

American Chemical Society Petroleum Research Fund

Division of Advanced Cyberinfrastructure

Department of Chemistry, University of California, Davis

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00439

Reference63 articles.

1. Iterative minimization techniques forab initiototal-energy calculations: molecular dynamics and conjugate gradients

2. Modern Methods for Multidimensional Dynamics Computations in Chemistry

3. Ab initiomolecular dynamics: basic concepts, current trends and novel applications

4. Classical trajectories using the full ab initio potential energy surface H−+CH4→CH4+H−

5. The intrinsic reaction coordinate. An ab initio calculation for HNC→HCN and H−+CH4→CH4+H−

Cited by 4 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. A robust solver for wavefunction-based density functional theory calculations*;Electronic Structure;2022-02-03

2. Concepts, models, and methods in computational heterogeneous catalysis illustrated through CO 2 conversion;WIREs Computational Molecular Science;2021-04-03

3. Machine learning-accelerated quantum mechanics-based atomistic simulations for industrial applications;Journal of Computer-Aided Molecular Design;2020-10-09

4. The Exploration of Chemical Reaction Networks;Annual Review of Physical Chemistry;2020-04-20

同舟云学术

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