Accelerating Variational Transition State Theory via Artificial Neural Networks
Author:
Affiliation:
1. Department of Chemistry, Brown University, Providence, Rhode Island 02912, United States
2. School of Engineering, Brown University, Providence, Rhode Island 02912, United States
Funder
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.9b11507
Reference74 articles.
1. Thermal Decomposition and Isomerization Processes of Alkyl Radicals
2. Classical trajectory calculations of the high pressure limiting rate constants and of specific rate constants for the reaction H+O2→HO2: dynamic isotope effects between tritium+O2 and muonium+O2
3. Predictive Theory for Hydrogen Atom−Hydrocarbon Radical Association Kinetics
4. Theoretical rate coefficients for allyl+HO2 and allyloxy decomposition
5. On the theory of the strange and unconventional isotopic effects in ozone formation
Cited by 16 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. Force training neural network potential energy surface models;International Journal of Chemical Kinetics;2024-09-06
2. Machine Learning of Reactive Potentials;Annual Review of Physical Chemistry;2024-06-28
3. Evaluation of Rate Coefficients in the Gas Phase Using Machine-Learned Potentials;The Journal of Physical Chemistry A;2024-03-01
4. Automated Reaction Kinetics of Gas-Phase Organic Species over Multiwell Potential Energy Surfaces;The Journal of Physical Chemistry A;2023-01-06
5. Machine learning, artificial intelligence, and chemistry: How smart algorithms are reshaping simulation and the laboratory;Pure and Applied Chemistry;2022-08-01
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