Faster Self-Consistent Field (SCF) Calculations on GPU Clusters-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Faster Self-Consistent Field (SCF) Calculations on GPU Clusters

Published:2021-11-15 Issue:12 Volume:17 Page:7486-7503
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Barca Giuseppe M. J.¹^ORCID,Alkan Melisa²,Galvez-Vallejo Jorge L.²,Poole David L.²,Rendell Alistair P.³,Gordon Mark S.²^ORCID

Affiliation:

1. School of Computing, Australian National University, Canberra, ACT 2601, Australia

2. Department of Chemistry and Ames Laboratory, Iowa State University, Ames, Iowa 50011, United States

3. College of Science and Engineering, Flinders University, Adelaide, SA 5042, Australia

Funder

U.S. Department of Energy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00720

Reference38 articles.

1. Two-electron integral evaluation on the graphics processor unit

2. Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation

3. Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics

4. New Multithreaded Hybrid CPU/GPU Approach to Hartree–Fock

5. Acceleration of Electron Repulsion Integral Evaluation on Graphics Processing Units via Use of Recurrence Relations

Cited by 30 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. LibERI—A portable and performant multi-GPU accelerated library for electron repulsion integrals via OpenMP offloading and standard language parallelism;The Journal of Chemical Physics;2024-08-22

3. Automatic molecular fragmentation by evolutionary optimisation;Journal of Cheminformatics;2024-08-19

4. High-Performance, Accurate Large-Scale Quantum Chemistry Calculations on GPU Supercomputers using Coulomb-Perturbed Fragmentation;Proceedings of the 53rd International Conference on Parallel Processing;2024-08-12

5. 3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processors;The Journal of Chemical Physics;2024-06-27

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