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

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