Nature Communications (May 2022)
Towards universal neural network potential for material discovery applicable to arbitrary combination of 45 elements
- So Takamoto,
- Chikashi Shinagawa,
- Daisuke Motoki,
- Kosuke Nakago,
- Wenwen Li,
- Iori Kurata,
- Taku Watanabe,
- Yoshihiro Yayama,
- Hiroki Iriguchi,
- Yusuke Asano,
- Tasuku Onodera,
- Takafumi Ishii,
- Takao Kudo,
- Hideki Ono,
- Ryohto Sawada,
- Ryuichiro Ishitani,
- Marc Ong,
- Taiki Yamaguchi,
- Toshiki Kataoka,
- Akihide Hayashi,
- Nontawat Charoenphakdee,
- Takeshi Ibuka
Affiliations
- So Takamoto
- Preferred Networks, Inc.
- Chikashi Shinagawa
- Preferred Networks, Inc.
- Daisuke Motoki
- Preferred Networks, Inc.
- Kosuke Nakago
- Preferred Networks, Inc.
- Wenwen Li
- Preferred Networks, Inc.
- Iori Kurata
- Preferred Networks, Inc.
- Taku Watanabe
- Central Technical Research Laboratory, ENEOS Corporation
- Yoshihiro Yayama
- Central Technical Research Laboratory, ENEOS Corporation
- Hiroki Iriguchi
- Central Technical Research Laboratory, ENEOS Corporation
- Yusuke Asano
- Central Technical Research Laboratory, ENEOS Corporation
- Tasuku Onodera
- Central Technical Research Laboratory, ENEOS Corporation
- Takafumi Ishii
- Central Technical Research Laboratory, ENEOS Corporation
- Takao Kudo
- Central Technical Research Laboratory, ENEOS Corporation
- Hideki Ono
- Central Technical Research Laboratory, ENEOS Corporation
- Ryohto Sawada
- Preferred Networks, Inc.
- Ryuichiro Ishitani
- Preferred Networks, Inc.
- Marc Ong
- Preferred Networks, Inc.
- Taiki Yamaguchi
- Preferred Networks, Inc.
- Toshiki Kataoka
- Preferred Networks, Inc.
- Akihide Hayashi
- Preferred Networks, Inc.
- Nontawat Charoenphakdee
- Preferred Networks, Inc.
- Takeshi Ibuka
- Central Technical Research Laboratory, ENEOS Corporation
- DOI
- https://doi.org/10.1038/s41467-022-30687-9
- Journal volume & issue
-
Vol. 13,
no. 1
pp. 1 – 11
Abstract
Existing neural network potentials are generally designed for narrow target materials. Here the authors develop a neural network potential which is able to handle any combination of 45 elements and show its applicability in multiple domains.
