@misc{tomoki2021a, title = {CrySPY: a crystal structure prediction tool accelerated by machine learning}, author = {Tomoki Yamashita, Shinichi Kanehira, Nobuya Sato, Hiori Kino, Kei Terayama, Hikaru Sawahata, Takumi Sato, Futoshi Utsuno, Koji Tsuda, Takashi Miyake, Tamio Oguchi}, publisher = {Informa UK Limited}, year = {2021-01-01}, keywords = {crystal structure prediction, Bayesian optimization, LAQA, first-principles calculations, evolutionary algorithm} }