Crystal structure prediction accelerated by Bayesian optimization

By T. Yamashita, N. Sato, Hiori Kino, T. Miyake, Koji Tsuda, T. Oguchi. 2018

136 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/a3fb9d2543b2a48902f37b79efffef89b8f32404