Index Catalog // MDR

Start Over

Filtering by: Author Hikaru Sawahata Author Kei Terayama Author Tamio Oguchi Keyword crystal structure prediction Keyword first-principles calculations Publisher National Institute for Materials Science

CrySPY: a crystal structure prediction tool accelerated by machine learning

Description/Abstract:

We have developed an open-source software called CrySPY, which is a crystal structure prediction tool written in Python 3, ...

Keyword:

evolutionary algorithm, Bayesian optimization, LAQA, crystal structure prediction, and first-principles calculations

Resource Type:

Article

Author:

Tomoki Yamashita, Shinichi Kanehira, Nobuya Sato, Hiori Kino, Kei Terayama, Hikaru Sawahata, Takumi Sato, Futoshi Utsuno, Koji Tsuda, Takashi Miyake, and Tamio Oguchi

Date Uploaded:

10/02/2023

Date Modified:

02/04/2024

CrySPY: a crystal structure prediction tool accelerated by machine learning

Limit your search

Type of work

Keyword

Language

Publisher

Resource type

Visibility

Rights Statement Sim

Author

Funder

Search Constraints

Search Results

Limit your search