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Filtering by: Author NAKAYAMA, Tomofumi Author SODEYAMA, Keitaro Journal Physical Chemistry Chemical Physics Computational methods density functional theory or electronic structure

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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