Transfer-Learning-Based Coarse-Graining Method for Simple Fluids: Toward Deep Inverse Liquid-State Theory-Reference-Cited by-同舟云学术

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

Published:2019-02-28 Issue:6 Volume:10 Page:1242-1250
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Moradzadeh Alireza¹^ORCID,Aluru Narayana R.¹

Affiliation:

1. Department of Mechanical Science and Engineering, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801, United States

Funder

Division of Materials Research

Office of International Science and Engineering

Division of Electrical, Communications and Cyber Systems

Division of Engineering Education and Centers

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.8b03872

Reference44 articles.

1. Molecular dynamics comparative study of Lennard-Jonesα-6 and exponentialα-6 potentials: Application to real simple fluids (viscosity and pressure)

2. Molecular dynamics simulations: advances and applications

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

4. A uniqueness theorem for fluid pair correlation functions

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

Cited by 38 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. Constructing a temperature transferable coarse-grained model of cis-1,4-polyisoprene with the structural and thermodynamic consistency aided by machine learning;Polymer;2024-10

2. Machine Learning in Soft Matter: From Simulations to Experiments;Advanced Functional Materials;2024-01-31

3. Efficient characterization of double-cross-linked networks in hydrogels using data-inspired coarse-grained molecular dynamics model;The Journal of Chemical Physics;2024-01-10

4. Molecular design of switchable nanochannels modified by zwitterion polymer chains with dissipative particle dynamics simulation;Polymer;2024-01

5. Resolving the dynamic properties of entangled linear polymers in non-equilibrium coarse grain simulation with a priori scaling factors;Nanoscale;2024