Hybrid algorithm of Bayesian optimization and evolutionary algorithm in crystal structure prediction - Yamashita, Tomoki; Kino, Hiori; Tsuda, Koji; Miyake, Takashi; Oguchi, Tamio (Science and Technology of Advanced Materials: Methods, 2022)
Keywords: Bayesian optimization; Crystal structure prediction; evolutionary algorithm; first-principles calculations; machine learning; materials informatics; Materials of engineering and construction. Mechanics of materials; TA401-492