A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination
Author:
Affiliation:
1. Curtin Institute for Computation, School of Molecular and Life Sciences, Curtin University, PO Box U1987, Perth, Western Australia 6845, Australia
Funder
Australian Research Council
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.1c00832
Reference83 articles.
1. DREIDING: a generic force field for molecular simulations
2. Derivation of force fields for molecular mechanics and dynamics from ab initio energy surfaces
3. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
4. Extension of the Universal Force Field to Metal–Organic Frameworks
5. The Extended Universal Force Field (XUFF):Theory and Applications
Cited by 15 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. Effects of high temperature and high humidity on the reliability of copper/epoxy bond;Applied Surface Science;2024-07
2. Global machine learning potentials for molecular crystals;The Journal of Chemical Physics;2024-04-16
3. mcGFN-FF: an accurate force field for optimization and energetic screening of molecular crystals;Zeitschrift für Naturforschung B;2024-04-01
4. Water-Assisted Contact Electrification Properties of Selected Polymers and Surface Functionalization Molecules: A Computational Study;The Journal of Physical Chemistry B;2024-02-15
5. A quantum mechanics and molecular mechanics study of bis-thiosemicarbazones with strong antiplasmodial properties as Fe(iii)-selective chelators and inhibitors of hemozoin formation;New Journal of Chemistry;2024
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