A benchmark for materials simulation
Author:
Affiliation:
1. School of Chemistry, University of Southampton, Highfield, Southampton SO17 1BJ, UK.
Abstract
Publisher
American Association for the Advancement of Science (AAAS)
Subject
Multidisciplinary
Reference14 articles.
1. Reproducibility in density functional theory calculations of solids
2. Nobel Lecture: Electronic structure of matter—wave functions and density functionals
3. Self-Consistent Equations Including Exchange and Correlation Effects
4. Exploring the limit of accuracy for density functionals based on the generalized gradient approximation: Local, global hybrid, and range-separated hybrid functionals with and without dispersion corrections
5. Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
Cited by 25 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. Simulating Crystal Structure, Acidity, Proton Distribution, and IR Spectra of Acid Zeolite HSAPO-34: A High Accuracy Study;Molecules;2023-12-14
2. Phaseless auxiliary field quantum Monte Carlo with projector-augmented wave method for solids;The Journal of Chemical Physics;2023-07-26
3. Periodic Density Functional Theory (PDFT) Simulating Crystal Structures with Microporous CHA Framework: An Accuracy and Efficiency Study;Inorganics;2023-05-16
4. Nanofluidic membrane for confined ion transport: From uniform to composite strategy;Materials Today;2023-05
5. Application of DFT Simulation to the Investigation of Hydrogen Embrittlement Mechanism and Design of High Strength Low Alloy Steel;Materials;2022-12-23
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