Bayesian calibration of force-fields from experimental data: TIP4P water-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Bayesian calibration of force-fields from experimental data: TIP4P water

Published:2018-10-21 Issue:15 Volume:149 Page:154110
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Dutta Ritabrata¹^ORCID,Brotzakis Zacharias Faidon¹²^ORCID,Mira Antonietta¹³

Affiliation:

1. Institute of Computational Science, Università della Svizzera Italiana, Lugano, Switzerland

2. Department of Chemistry and Applied Bioscience, ETH Zürich, Zürich, Switzerland

3. Department of Science and High Technology, Università degli Studi dell’Insubria, Varese, Italy

Funder

Swiss National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5030950

Reference51 articles.

1. Significance of Molecular Dynamics Simulations for Life Sciences

2. Comparison of simple potential functions for simulating liquid water

3. A general purpose model for the condensed phases of water: TIP4P/2005

Cited by 13 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. Evaluation of Sampling Algorithms Used for Bayesian Uncertainty Quantification of Molecular Dynamics Force Fields;Journal of Chemical Theory and Computation;2024-06-26

2. Accelerated Bayesian Inference for Molecular Simulations using Local Gaussian Process Surrogate Models;Journal of Chemical Theory and Computation;2024-03-29

3. Bayesian calibration of interatomic potentials for binary alloys;Computational Materials Science;2022-11

4. Emerging Era of Biomolecular Membrane Simulations: Automated Physically-Justified Force Field Development and Quality-Evaluated Databanks;The Journal of Physical Chemistry B;2022-06-06

5. Bayesian-Inference-Driven Model Parametrization and Model Selection for 2CLJQ Fluid Models;Journal of Chemical Information and Modeling;2022-02-07

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