Information
Last Update:2021/03/06

Official site

https://tomoki-yamashita.github.io/CrySPY/

License

MIT License
Core DevelopersTomoki Yamashita (National Institute for Materials Science) Nobuya Sato (National Institute of Advanced Industrial Science and Technology) Hiori Kino (National Institute for Materials Science) Takashi Miyake (National Institute of Advanced Industrial Science and Technology) Koji Tsuda (Graduate School of Frontier Sciences, The University of Tokyo) Tamio Oguchi (Institute of Scientific and Industrial Research, Osaka University)
Target substance/modelinorganic compounds
Physical quantities that can be computedformation energy
Methodologyrandom search, Bayesian optimization, LAQA
ParallelizationNot supported
Related keywords
Document
  1. Yamashita, N. Sato, H. Kino, T. Miyake, K. Tsuda, and T. Oguchi, Phys. Rev. Materials 2, 013803 (2017).
OtherSystem requirements find_wy Python 2.7 COMBO numpy pandas pymatgen   Interfaces VASP Quantum ESPRESSO soiap LAMMPS