2 records found.
TREXIO: A file format and library for quantum chemistry
- Journal article
- Creator
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;Evgeny Posenitskiy (author) (Search by this author);Vijay Gopal Chilkuri (author) (Search by this author);Abdallah Ammar (author) (Search by this author);Michał Hapka (author) (Search by this author);Katarzyna Pernal (author) (Search by this author);Ravindra Shinde (author) (Search by this author);Edgar Josué Landinez Borda (author) (Search by this author);Claudia Filippi (author) (Search by this author)Kosuke Nakano (author) (Search by this author)National Institute for Materials Science
;
;Otto Kohulák (author) (Search by this author);Sandro Sorella (author) (Search by this author);Pablo de Oliveira Castro (author) (Search by this author);William Jalby (author) (Search by this author);Pablo López Ríos (author) (Search by this author);Ali Alavi (author) (Search by this author)Anthony Scemama (author) (Search by this author) - Keyword
- quantum chemistry, data, interoperability
- Date published
- 2023-05-07
- Updated at
- 2024-12-18 08:30:57 +0900
Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents
- Dataset
- Creator
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ISHIKAWA, Atsushi (author) (Search by this author)
;
SODEYAMA, Keitaro (author) (Search by this author)
;
IGARASHI, Yasuhiko (author) (Search by this author)
https://orcid.org/0000-0003-1042-6657
(unauthenticated)
;
NAKAYAMA, Tomofumi (author) (Search by this author)
https://orcid.org/0000-0003-1240-3571
(unauthenticated)
;
TATEYAMA, Yoshitaka (author) (Search by this author)
;
OKADA, Masato (author) (Search by this author)
https://orcid.org/0000-0002-9040-8784
(unauthenticated)
- Keyword
- quantum chemistry, electrolyte, battery
- Date published
- 2019-11-18
- Updated at
- 2024-01-05 22:13:39 +0900