Free energies of crystals computed using Einstein crystal with fixed center of mass and differing spring constants-Reference-Cited by-同舟云学术

登录注册会员服务联系我们

Free energies of crystals computed using Einstein crystal with fixed center of mass and differing spring constants

Published:2021-04-28 Issue:16 Volume:154 Page:164509
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Khanna Vikram¹^ORCID,Anwar Jamshed²^ORCID,Frenkel Daan³^ORCID,Doherty Michael F.¹^ORCID,Peters Baron⁴⁵^ORCID

Affiliation:

1. Department of Chemical Engineering, University of California, Santa Barbara, Santa Barbara, California 93106, USA

2. Department of Chemistry, Lancaster University, Lancaster LA1 4YW, United Kingdom

3. Yusuf Hamied Department of Chemistry, University of Cambridge, Cambridgeshire CB2 1EW, United Kingdom

4. Department of Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA

5. Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA

Funder

Eli Lilly and Company

National Science Foundation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/am-pdf/10.1063/5.0044833

Reference31 articles.

1. Use of Computer Experiments to Locate the Melting Transition and Calculate the Entropy in the Solid Phase

2. Melting Transition and Communal Entropy for Hard Spheres

3. New Monte Carlo method to compute the free energy of arbitrary solids. Application to the fcc and hcp phases of hard spheres

4. Revisiting the Frenkel-Ladd method to compute the free energy of solids: The Einstein molecule approach

5. Computing the free energy of molecular solids by the Einstein molecule approach: Ices XIII and XIV, hard-dumbbells and a patchy model of proteins

Cited by 10 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. Assessing the Accuracy and Efficiency of Free Energy Differences Obtained from Reweighted Flow-Based Probabilistic Generative Models;Journal of Chemical Theory and Computation;2024-07-10

2. Coherent and semicoherent α/β interfaces in titanium: structure, thermodynamics, migration;npj Computational Materials;2023-12-07

3. Critical Evaluation of Five Classical Force Fields for CsPbI₃: Limitations in Modeling Phase Stability and Transformations;The Journal of Physical Chemistry C;2023-10-02

4. Predicting solubility and driving forces for crystallization using the absolute chemical potential route;Molecular Physics;2022-12-15

5. A Comparison of Methods for Computing Relative Anhydrous–Hydrate Stability with Molecular Simulation;Crystal Growth & Design;2022-11-29

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