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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
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Keyword
battery
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1
electrolyte
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quantum chemistry
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Language
English
1
Publisher
Royal Society of Chemistry
1
Resource type
Dataset
1
Visibility
open
1
Rights Statement Sim
Creative Commons BY-NC Attribution-NonCommercial 4.0 International
1
Computational methods
density functional theory or electronic structure
1
Data origin
simulations
1
Author
IGARASHI, Yasuhiko
1
ISHIKAWA, Atsushi
1
NAKAYAMA, Tomofumi
1
OKADA, Masato
1
SODEYAMA, Keitaro
1
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Journal
Physical Chemistry Chemical Physics
1