Exploring Metal Nanocluster Catalysts for Ammonia Synthesis Using Informatics Methods: A Concerted Effort of Bayesian Optimization, Swarm Intelligence, and First-Principles Computa...

por Tsuji, Yuta, Yoshioka, Yuta, Okazawa, Kazuki, Yoshizawa, Kazunari
Publicado 2023

Exploring the Optimal Alloy for Nitrogen Activation by Combining Bayesian Optimization with Density Functional Theory Calculations

por Okazawa, Kazuki, Tsuji, Yuta, Kurino, Keita, Yoshida, Masataka, Amamoto, Yoshifumi, Yoshizawa, Kazunari
Publicado 2022