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

Author:

Okazawa Kazuki1ORCID,Tsuji Yuta2ORCID,Kurino Keita1,Yoshida Masataka3,Amamoto Yoshifumi1,Yoshizawa Kazunari1ORCID

Affiliation:

1. Institute for Materials Chemistry and Engineering and IRCCS, Kyushu University, Nishi-ku, Fukuoka819-0395, Japan

2. Faculty of Engineering Sciences, Kyushu University, Kasuga, Fukuoka816-8580, Japan

3. Laboratory for Chemistry and Life Science, Tokyo Institute of Technology, Midori-ku, Yokohama226-8503, Japan

Funder

New Energy and Industrial Technology Development Organization

Ministry of Education, Culture, Sports, Science and Technology

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

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