Open AccessCrystal structure prediction accelerated by Bayesian optimization
Author(s) -
Tomoki Yamashita,
Nobuya Sato,
Hiori Kino,
Takashi Miyake,
Koji Tsuda,
Tamio Oguchi
Publication year - 2018
Publication title -
physical review materials
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 1.439
H-Index - 42
eISSN - 2476-0455
pISSN - 2475-9953
DOI - 10.1103/physrevmaterials.2.013803
Subject(s) - bayesian optimization , crystal structure prediction , bayesian probability , particle swarm optimization , random search , algorithm , computer science , artificial intelligence , evolutionary algorithm , machine learning , mathematical optimization , materials science , crystal structure , mathematics , crystallography , chemistry