Direct-Space Corrections Enable Fast and Accurate Lorentz–Berthelot Combination Rule Lennard-Jones Lattice Summation-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Direct-Space Corrections Enable Fast and Accurate Lorentz–Berthelot Combination Rule Lennard-Jones Lattice Summation

Published:2015-11-20 Issue:12 Volume:11 Page:5737-5746
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Wennberg Christian L.¹²,Murtola Teemu¹²,Páll Szilárd¹²,Abraham Mark J.¹²,Hess Berk¹²,Lindahl Erik¹²

Affiliation:

1. Swedish e-Science Research Center, Department of Theoretical Physics, KTH Royal Institute of Technology, Box 1031, 171 21 Solna, Sweden

2. Center for Biomembrane Research, Department of Biophysics & Biochemistry, Stockholm University, 106 91 Stockholm, Sweden

Funder

Vetenskapsrådet

European Research Council

Stiftelsen för Strategisk Forskning

Seventh Framework Programme

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b00726

Reference53 articles.

1. Particle mesh Ewald: AnN⋅log(N) method for Ewald sums in large systems

2. A smooth particle mesh Ewald method

3. Determining the shear viscosity of model liquids from molecular dynamics simulations

4. Alternative schemes for the inclusion of a reaction-field correction into molecular dynamics simulations: Influence on the simulated energetic, structural, and dielectric properties of liquid water

5. Structure and dynamics of liquid water with different long-range interaction truncation and temperature control methods in molecular dynamics simulations

Cited by 118 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. Enhanced Li+/Mg2+ separation via Ca2+-supported graphene membranes: Mechanistic insights from molecular dynamics simulations;Desalination;2024-10

2. Computational design of a multi-epitope-based vaccine targeting the BF.7 Omicron variant of SARS-CoV-2;Gene Reports;2024-09

3. RNA order regulates its interactions with zwitterionic lipid bilayers;2024-08-28

4. Instantaneous fundamental modes and contact angles of droplets from surface atoms;Journal of Molecular Liquids;2024-08

5. Effect of Lipid Bilayer Anchoring on the Conformational Properties of the Cytochrome P450 2D6 Binding Site;The Journal of Physical Chemistry B;2024-07-17

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