Extended DeepILST for Various Thermodynamic States and Applications in Coarse-Graining-Reference-Cited by-同舟云学术

Extended DeepILST for Various Thermodynamic States and Applications in Coarse-Graining

Published:2022-02-24 Issue:9 Volume:126 Page:1562-1570
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Jeong J.¹^ORCID,Moradzadeh A.¹^ORCID,Aluru N. R.²^ORCID

Affiliation:

1. Department of Mechanical Science and Engineering, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801 United States

2. Walker Department of Mechanical Engineering, Oden Institute for Computational Engineering & Sciences, The University of Texas at Austin, Austin, Texas 78712 United States

Funder

University of Illinois at Urbana-Champaign

National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.1c10865

Reference48 articles.

1. Transfer-Learning-Based Coarse-Graining Method for Simple Fluids: Toward Deep Inverse Liquid-State Theory

2. Molecular dynamics simulations: advances and applications

3. Optimization of Empirical Force Fields by Parameter Space Mapping: A Single-Step Perturbation Approach

4. Iterative predictor-corrector method for extraction of the pair interaction from structural data for dense classical liquids

5. Multiscale Coarse-Graining and Structural Correlations: Connections to Liquid-State Theory

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