Distance-insensitive Graph Neural Networks and multi-task learning for accurate prediction of adsorption energies on alloy nanoclusters

Journal article

Creator

Koki Otsuka (author) (Search by this author)

Koki Otsuka ;

Anh Khoa Augustin Lu (author) (Search by this author)

https://orcid.org/0000-0003-4702-0933

NIMS Researchers Directory SAMURAI

Anh Khoa Augustin Lu ;

Koji Shimizu (author) (Search by this author)

https://orcid.org/0000-0001-5622-9582 (unauthenticated)

Koji Shimizu ;

Satoshi Watanabe (author) (Search by this author)

https://orcid.org/0000-0002-8069-6938 (unauthenticated)

Satoshi Watanabe

Keyword

Adsorption energy prediction, Graph neural networks, Multi-task learning, Alloy nanoclusters, Catalyst screening

Date published

2026-08-14

Updated at

2026-08-18 13:40:15 +0900