Index Catalog // MDR

Description/Abstract:: Materials design and discovery can be represented as selecting the optimal structure from a space of candidates that optimizes a target p...
Keyword:: Materials design and discovery
Resource Type:: Article
Author:: Shiomi, Junichiro, Ju, Shenghong, Tsuda, Koji, and Dieb, Thaer M.
Journal:: MRS Communications
Date Uploaded:: 02/10/2020
Date Modified:: 16/10/2020

Description/Abstract:: Heteroatom doping has endowed graphene with manifold aspects of material properties and boosted its applications. The atomic structure de...
Keyword:: Materials design and Monte Carlo tree search
Resource Type:: Article
Author:: Hou, Zhufeng, Tsuda, Koji, and Dieb, Thaer M.
Journal:: The Journal of Chemical Physics
Date Uploaded:: 02/10/2020
Date Modified:: 16/10/2020

Description/Abstract:: Complex materials design is often represented as a black-box combinatorial optimization problem. In this paper, we present a novel python...
Keyword:: Monte Carlo tree search and materials design
Resource Type:: Article
Author:: Yoshizoe, Kazuki, Ju, Shenghong, Dieb, Thaer M., Shiomi, Junichiro, Hou, Zhufeng, and Tsuda, Koji
Journal:: Science and Technology of Advanced Materials
Date Uploaded:: 02/10/2020
Date Modified:: 16/10/2020

Description/Abstract:: In materials design and discovery processes, optimal experimental design (OED) algorithms are getting more popular. OED is often modeled ...
Keyword:: Machine learning, Materials design, and Optimal experiment design
Resource Type:: Part of Book
Author:: Tsuda, Koji and Dieb, Thaer M.
Journal:: Nanoinformatics
Date Uploaded:: 02/10/2020
Date Modified:: 16/10/2020

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