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Filtering by: Author SODEYAMA, Keitaro Computational methods density functional theory or electronic structure Keyword electrolyte Publisher Royal Society of Chemistry

1. Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents

Description/Abstract:: We combined a data science-driven method with quantum chemistry calculations, and applied it to the battery electrolyte problem. We perfo...
Keyword:: electrolyte, battery, and quantum chemistry
Resource Type:: Dataset
Data origin:: simulations
Author:: ISHIKAWA, Atsushi, SODEYAMA, Keitaro, IGARASHI, Yasuhiko, NAKAYAMA, Tomofumi, TATEYAMA, Yoshitaka, and OKADA, Masato
Journal:: Physical Chemistry Chemical Physics
Date Uploaded:: 24/09/2021
Date Modified:: 01/10/2021

1. Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents

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1. Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents

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