Large scale FMO-MP2 calculations on a massively parallel-vector computer-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Large scale FMO-MP2 calculations on a massively parallel-vector computer

Published:2008-05 Issue:4-6 Volume:457 Page:396-403
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Mochizuki Yuji,Yamashita Katsumi,Murase Tadashi,Nakano Tatsuya,Fukuzawa Kaori,Takematsu Kazutomo,Watanabe Hirofumi,Tanaka Shigenori

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference38 articles.

1. Pair interaction molecular orbital method: an approximate computational method for molecular interactions

2. Fragment molecular orbital method: an approximate computational method for large molecules

3. A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO)

4. General atomic and molecular electronic structure system

5. Fragment molecular orbital method: use of approximate electrostatic potential

Cited by 113 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. Local Second Order Mo̷ller-Plesset Theory with a Single Threshold Using Orthogonal Virtual Orbitals: A Distributed Memory Implementation;Journal of Chemical Theory and Computation;2024-09-02

2. Size‐consistency and orbital‐invariance issues revealed by VQE‐UCCSD calculations with the FMO scheme;Journal of Computational Chemistry;2024-05-25

3. Prediction of Binding Pose and Affinity of Nelfinavir, a SARS-CoV-2 Main Protease Repositioned Drug, by Combining Docking, Molecular Dynamics, and Fragment Molecular Orbital Calculations;The Journal of Physical Chemistry B;2024-03-04

4. Development Status of ABINIT-MP in 2023;Journal of Computer Chemistry, Japan;2024

5. Development of Python Scripts to Retrieve Data from FMODB;Journal of Computer Chemistry, Japan;2024

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