Efficient and portable acceleration of quantum chemical many-body methods in mixed floating point precision using OpenACC compiler directives
Author:
Affiliation:
1. Institut für Physikalische Chemie, Johannes Gutenberg-Universität Mainz, D-55128 Mainz, Germany
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2016.1271155
Reference104 articles.
1. Best Practices for Scientific Computing
2. http://openmp.org/ (accessed December 13, 2016).
3. http://www.openacc.org/ (accessed December 13, 2016).
4. Note on an Approximation Treatment for Many-Electron Systems
5. On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods
Cited by 22 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. Tensor hypercontraction for fully self-consistent imaginary-time GF2 and GWSOX methods: Theory, implementation, and role of the Green’s function second-order exchange for intermolecular interactions;The Journal of Chemical Physics;2024-08-26
2. CuGBasis: High-performance CUDA/Python library for efficient computation of quantum chemistry density-based descriptors for larger systems;The Journal of Chemical Physics;2024-08-19
3. GPU acceleration of many‐body perturbation theory methods in MOLGW with OpenACC;International Journal of Quantum Chemistry;2024-02-22
4. State-of-the-art local correlation methods enable affordable gold standard quantum chemistry for up to hundreds of atoms;Chemical Science;2024
5. A Perspective on Sustainable Computational Chemistry Software Development and Integration;Journal of Chemical Theory and Computation;2023-09-28
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