Overcoming the Memory Bottleneck in Auxiliary Field Quantum Monte Carlo Simulations with Interpolative Separable Density Fitting
Author:
Affiliation:
1. Quantum Simulations Group, Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94551, United States
Funder
Lawrence Livermore National Laboratory
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00944
Reference71 articles.
1. Quasiparticle Self-ConsistentGWTheory
2. Nuclear Quantum Effects and Nonlocal Exchange-Correlation Functionals Applied to Liquid Hydrogen at High Pressure
3. Fate of density functional theory in the study of high-pressure solid hydrogen
4. Benchmarking exchange-correlation functionals for hydrogen at high pressures using quantum Monte Carlo
5. Electronic properties of doped and defective NiO: A quantum Monte Carlo study
Cited by 41 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. Toward Large-Scale AFQMC Calculations: Large Time Step Auxiliary-Field Quantum Monte Carlo;Journal of Chemical Theory and Computation;2024-05-15
2. Scalable Quantum Monte Carlo with Direct-Product Trial Wave Functions;Journal of Chemical Theory and Computation;2024-05-03
3. Low-Scaling Algorithms for GW and Constrained Random Phase Approximation Using Symmetry-Adapted Interpolative Separable Density Fitting;Journal of Chemical Theory and Computation;2024-04-10
4. Machine Learning K-Means Clustering in Interpolative Separable Density Fitting Algorithm: Advancing Accurate and Efficient Cubic-Scaling Density Functional Perturbation Theory Calculations within Plane Waves;The Journal of Physical Chemistry A;2024-03-04
5. Complex-Valued K-Means Clustering of Interpolative Separable Density Fitting Algorithm for Large-Scale Hybrid Functional Enabled Ab Initio Molecular Dynamics Simulations within Plane Waves;The Journal of Physical Chemistry A;2024-03-02
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