Using Neural Network Force Fields to Ascertain the Quality of Ab Initio Simulations of Liquid Water-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Using Neural Network Force Fields to Ascertain the Quality of Ab Initio Simulations of Liquid Water

Published:2021-09-20 Issue:38 Volume:125 Page:10772-10778
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Torres Alberto¹,Pedroza Luana S.²,Fernandez-Serra Marivi³^ORCID,Rocha Alexandre R.¹^ORCID

Affiliation:

1. Institute of Theoretical Physics, São Paulo State University (UNESP), Campus São Paulo, São Paulo 01140-070, Brazil

2. Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Santo André 09210-580, Brazil

3. State University of New York at Stonybrook, Stonybrook, New York 11790, United States

Funder

Basic Energy Sciences

FundaÃ§Ã£o de Amparo Ã Pesquisa do Estado de SÃ£o Paulo

Simons Foundation

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.1c04372

Reference58 articles.

1. How van der Waals interactions determine the unique properties of water

2. Physics and chemistry of water and ice

3. Inhomogeneous Electron Gas

4. Self-Consistent Equations Including Exchange and Correlation Effects

5. Perspective: How good is DFT for water?

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. KCl-UCl3 molten salts investigated by Ab Initio Molecular Dynamics (AIMD) simulations: A comparative study with three dispersion models;Journal of Nuclear Materials;2024-10

2. Terahertz electric field serves as a freeze button for water;Physica E: Low-dimensional Systems and Nanostructures;2024-09

3. Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials;The Journal of Chemical Physics;2024-05-01

4. Comparing machine learning potentials for water: Kernel-based regression and Behler–Parrinello neural networks;The Journal of Chemical Physics;2024-03-20

5. Accurate modeling of aqueous chemistry at the nano-/micro-scale;SCIENTIA SINICA Chimica;2023-12-04

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