Parametrization of Nonbonded Force Field Terms for Metal–Organic Frameworks Using Machine Learning Approach-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Parametrization of Nonbonded Force Field Terms for Metal–Organic Frameworks Using Machine Learning Approach

Published:2021-11-17 Issue:12 Volume:61 Page:5774-5784
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Korolev Vadim V.¹^ORCID,Nevolin Yuriy M.²,Manz Thomas A.³^ORCID,Protsenko Pavel V.¹^ORCID

Affiliation:

1. Department of Chemistry, Lomonosov Moscow State University, Moscow 119991, Russia

2. Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow 119071, Russia

3. Department of Chemical & Materials Engineering, New Mexico State University, Las Cruces, New Mexico 88003-8001, United States

Funder

Ministry of Science and Higher Education of the Russian Federation

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c01124

Reference128 articles.

1. Computational development of the nanoporous materials genome

2. Reticular synthesis and the design of new materials

3. Introduction to Reticular Chemistry

4. A reticular chemistry guide for the design of periodic solids

5. Metal–Organic Frameworks in Modern Physics: Highlights and Perspectives

Cited by 9 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. Combining machine learning and metal–organic frameworks research: Novel modeling, performance prediction, and materials discovery;Coordination Chemistry Reviews;2024-09

2. Computational and Machine Learning Methods for CO₂ Capture Using Metal–Organic Frameworks;ACS Nano;2024-08-22

3. PACMAN: A Robust Partial Atomic Charge Predicter for Nanoporous Materials Based on Crystal Graph Convolution Networks;Journal of Chemical Theory and Computation;2024-06-01

4. An automated protocol to construct flexibility parameters for classical forcefields: applications to metal–organic frameworks;RSC Advances;2024

5. Density-Derived Electrostatic and Chemical Methods;Comprehensive Computational Chemistry;2024

同舟云学术

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