Hierarchical parallelization of divide‐and‐conquer density functional tight‐binding molecular dynamics and metadynamics simulations-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Hierarchical parallelization of divide‐and‐conquer density functional tight‐binding molecular dynamics and metadynamics simulations

Published:2020-05 Issue:19 Volume:41 Page:1759-1772
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Nishimura Yoshifumi¹^ORCID,Nakai Hiromi¹²³^ORCID

Affiliation:

1. Waseda Research Institute for Science and Engineering Waseda University Tokyo Japan

2. Department of Chemistry and Biochemistry School of Advanced Science and Engineering, Waseda University Tokyo Japan

3. Elements Strategy Initiative for Catalysts and Batteries Kyoto University Kyoto Japan

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26217

Reference122 articles.

1. Theory and range of modern semiempirical molecular orbital methods

2. Semiempirical quantum–chemical methods

3. Enhanced semiempirical QM methods for biomolecular interactions

4. Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications

5. Simplified DFT methods for consistent structures and energies of large systems

Cited by 10 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. Neutral-to-ionic photoinduced phase transition of tetrathiafulvalene-p-chloranil by electronic and vibrational excitation: A real-time nuclear–electronic dynamics simulation study;The Journal of Chemical Physics;2023-08-01

2. Enabling large-scale quantum path integral molecular dynamics simulations through the integration of Dcdftbmd and i-PI codes;The Journal of Chemical Physics;2023-04-24

3. Species-selective nanoreactor molecular dynamics simulations based on linear-scaling tight-binding quantum chemical calculations;The Journal of Chemical Physics;2023-02-03

4. Divide-and-Conquer Linear-Scaling Quantum Chemical Computations;The Journal of Physical Chemistry A;2023-01-11

5. Quantum Algorithm of the Divide-and-Conquer Unitary Coupled Cluster Method with a Variational Quantum Eigensolver;Journal of Chemical Theory and Computation;2022-08-04

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