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

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

Polymer electrolytes are promising candidates for the next generation lithium-ion battery technology. Large scale screening of polymer electrolytes is hindered by the significant cost of molecular dynamics (MD) simulation in amorphous systems: the amorphous structure of polymers requires multiple, r...

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Bibliographic Details
Main Authors: 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.
Other Authors: Massachusetts Institute of Technology. Department of Materials Science and Engineering
Format: Article
Language:English
Published: Springer Science and Business Media LLC 2024
Online Access:https://hdl.handle.net/1721.1/154301

Internet

https://hdl.handle.net/1721.1/154301

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