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Accelerating amorphous polymer electrolyte screening by learning to
  reduce errors in molecular dynamics simulated properties
v1v2 (latest)

Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties

13 January 2021
T. Xie
A. France-Lanord
Yanming Wang
Jeffrey Lopez
M. Stolberg
Megan R. Hill
Graham M. Leverick
Rafael Gómez-Bombarelli
Jeremiah A. Johnson
Y. Shao-horn
Jeffrey C. Grossman
ArXiv (abs)PDFHTML

Papers citing "Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties"

3 / 3 papers shown
Title
Forces are not Enough: Benchmark and Critical Evaluation for Machine
  Learning Force Fields with Molecular Simulations
Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations
Xiang Fu
Zhenghao Wu
Wujie Wang
T. Xie
S. Keten
Rafael Gómez-Bombarelli
Tommi Jaakkola
83
146
0
13 Oct 2022
TransPolymer: a Transformer-based language model for polymer property
  predictions
TransPolymer: a Transformer-based language model for polymer property predictions
Changwen Xu
Yuyang Wang
A. Farimani
105
91
0
03 Sep 2022
Simulate Time-integrated Coarse-grained Molecular Dynamics with
  Multi-Scale Graph Networks
Simulate Time-integrated Coarse-grained Molecular Dynamics with Multi-Scale Graph Networks
Xiang Fu
T. Xie
Nathan J. Rebello
B. Olsen
Tommi Jaakkola
AI4CE
72
15
0
21 Apr 2022
1