High-performance GPU-accelerated evaluation of electron repulsion integrals
Author:
Affiliation:
1. Department of Chemistry, Iowa State University, Ames, United States
2. Department of Computer Science, Australian National University, Canberra, Australia
Funder
US Department of Energy
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2022.2112987
Reference38 articles.
1. Japan Captures TOP500 Crown with Arm-Powered Supercomputer | TOP500 (2021).
2. Two-electron integral evaluation on the graphics processor unit
3. Efficient calculation of two-electron integrals for high angular basis functions
4. Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation
5. Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation
Cited by 9 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. Multi-GPU RI-HF Energies and Analytic Gradients─Toward High-Throughput Ab Initio Molecular Dynamics;Journal of Chemical Theory and Computation;2024-08-28
2. 3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processors;The Journal of Chemical Physics;2024-06-27
3. High-Performance Multi-GPU Analytic RI-MP2 Energy Gradients;Journal of Chemical Theory and Computation;2024-03-08
4. High-Performance Evaluation of High Angular Momentum 4-Center Gaussian Integrals on Modern Accelerated Processors;The Journal of Physical Chemistry A;2023-12-13
5. The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures;Journal of Chemical Theory and Computation;2023-10-04
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