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Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties
by
Xie, Tian
,
France-Lanord, Arthur
,
Wang, Yanming
,
Lopez, Jeffrey
,
Stolberg, Michael A.
,
Hill, Megan
,
Leverick, Graham Michael
,
Gomez-Bombarelli, Rafael
,
Johnson, Jeremiah A.
,
Shao-Horn, Yang
,
Grossman, Jeffrey C.
Published in
Nature communications
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Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties
by
Xie, Tian
,
France-Lanord, Arthur
,
Wang, Yanming
,
Lopez, Jeffrey
,
Michael Austin Stolberg
,
Hill, Megan
,
Graham Michael Leverick
,
Gomez-Bombarelli, Rafael
,
Johnson, Jeremiah A
,
Shao-Horn, Yang
,
Grossman, Jeffrey C
Published in
arXiv.org
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Amorphous Materials
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Electrolytes
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Graph Neural Networks
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Lithium-Ion Batteries
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Machine Learning
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Molecular Dynamics
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Polymers
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Rechargeable Batteries
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Screening
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Simulation
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639/301/1034
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639/638/563/606
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639/638/563/981
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Amorphous Structure
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