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Filtering by: Keyword first-principles calculations Remove constraint Keyword: first-principles calculations Keyword crystal structure prediction Remove constraint Keyword: crystal structure prediction

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CrySPY: a crystal structure prediction tool accelerated by machine learning

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Type of work

Publication1

Keyword

evolutionary algorithm1
Bayesian optimization1
LAQA1
crystal structure prediction[remove]1
first-principles calculations[remove]1

Language

English1

Publisher

National Institute for Materials Science1

Resource type

Article1

Visibility

open1

Rights Statement Sim

Creative Commons BY Attribution 4.0 International1

Author

Futoshi Utsuno1
Hikaru Sawahata1
Hiori Kino1
Kei Terayama1
Koji Tsuda1
more Authors »

Funder

JSPS KAKENHI1
JST1
MEXT1
Support Program for Starting Up Innovation Hub1

National Institute for Materials Science

Research Network and Facility Services Division (RNFS)
Materials Data Platform

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