Multinode Multi-GPU Two-Electron Integrals: Code Generation Using the Regent Language-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Multinode Multi-GPU Two-Electron Integrals: Code Generation Using the Regent Language

Published:2022-10-06 Issue:11 Volume:18 Page:6522-6536
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Johnson K. Grace¹²^ORCID,Mirchandaney Seema²,Hoag Ellis³,Heirich Alan²,Aiken Alex²³,Martínez Todd J.¹²^ORCID

Affiliation:

1. Department of Chemistry and The PULSE Institute, Stanford University, Stanford, California94305, United States

2. SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, California94025, United States

3. Department of Computer Science, Stanford University, Stanford, California94305, United States

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.2c00414

Reference91 articles.

1. Principles for a directSCFapproach toLICAO-MOab-initiocalculations

2. Improvements on the direct SCF method

3. The continuous fast multipole method

4. Achieving Linear Scaling for the Electronic Quantum Coulomb Problem

5. A linear scaling method for Hartree–Fock exchange calculations of large molecules

Cited by 12 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. 3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processors;The Journal of Chemical Physics;2024-06-27

4. Accelerating Pythonic Coupled-Cluster Implementations: A Comparison Between CPUs and GPUs;Journal of Chemical Theory and Computation;2024-02-02

5. High-Performance Evaluation of High Angular Momentum 4-Center Gaussian Integrals on Modern Accelerated Processors;The Journal of Physical Chemistry A;2023-12-13

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