Direct Quantum Dynamics Using Grid-Based Wave Function Propagation and Machine-Learned Potential Energy Surfaces
Author:
Affiliation:
1. Department of Chemistry and Centre for Scientific Computing, University of Warwick, Coventry CV4 7AL, United Kingdom
Funder
Leverhulme Trust
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.7b00507
Reference87 articles.
1. Dynamics and dissipation in enzyme catalysis
2. Atomic Description of an Enzyme Reaction Dominated by Proton Tunneling
3. DNA Excited-State Dynamics: From Single Bases to the Double Helix
4. Gas-Phase Femtosecond Particle Spectroscopy: A Bottom-Up Approach to Nucleotide Dynamics
5. Ultrafast Photoprotecting Sunscreens in Natural Plants
Cited by 36 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. Machine Learning of Reactive Potentials;Annual Review of Physical Chemistry;2024-06-28
2. A Novel QSPR Approach in Modeling Selectivity Coefficients of the Lanthanum-Selective Electrode;ANAL BIOANAL ELECTRO;2023
3. Machine learning accelerated photodynamics simulations;Chemical Physics Reviews;2023-09-01
4. Program Synthesis of Sparse Algorithms for Wave Function and Energy Prediction in Grid-Based Quantum Simulations;Journal of Chemical Theory and Computation;2022-03-16
5. Predicting Molecular Photochemistry Using Machine-Learning-Enhanced Quantum Dynamics Simulations;Accounts of Chemical Research;2022-01-04
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