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Materials Informatics

Science and Technology of Advanced Materials

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This special collection focuses on the new discipline of Materials Informatics, which is a fusion of Materials Science and Information Science. Novel data-driven technologies bring enormous possibilities to a variety of applications by covering the relations between processing, morphology (structure) and properties of materials.

STAM supports the development of Materials Informatics and its community not only by providing this special collection, but also by hosting a dedicated web portal: here.

Article TitleAuthor
Focus on materials genome and informaticsKiyoyuki Terakura & Ichiro Takeuchi
Grain growth prediction based on data assimilation by implementing 4DVar on multi-phase-field modelShin-ichi Ito, Hiromichi Nagao, Tadashi Kasuya & Junya Inoue
Petascale supercomputing to accelerate the design of high-temperature alloysDongwon Shin, Sangkeun Lee, Amit Shyam & J. Allen Haynes
Machine learning reveals orbital interaction in materialsTien Lam Pham, Hiori Kino, Kiyoyuki Terakura, Takashi Miyake, Koji Tsuda, Ichigaku Takigawa & Hieu Chi Dam
MDTS: Automatic Complex Materials Design using Monte Carlo Tree SearchThaer M. Dieb, Shenghong Ju, Kazuki Yoshizoe, Zhufeng Hou, Junichiro Shiomi & Koji Tsuda
Identification of ground-state spin ordering in antiferromagnetic transition metal oxides using the Ising model and a genetic algorithmKyuhyun Lee, Yong Youn & Seungwu Han
Quantitative description on structure-property relationships of Li-ion battery materials for high-throughput computationsYouwei Wang, Wenqing Zhang, Lidong Chen, Siqi Shi & Jianjun Liu
Towards a metadata scheme for the description of materials – the description of microstructuresGeorg J. Schmitz, Bernd Böttger, Markus Apel, Janin Eiken, Gottfried Laschet, Ralph Altenfeld, Ralf Berger, Guillaume Boussinot & Alexandre Viardin
Materials inspired by mathematicsMotoko Kotani & Susumu Ikeda
Informatics derived materials databases for multifunctional propertiesScott Broderick & Krishna Rajan
ChemTS: an efficient python library for de novo molecular generationXiufeng Yang, Jinzhe Zhang, Kazuki Yoshizoe, Kei Terayama & Koji Tsuda
A general representation scheme for crystalline solids based on Voronoi-tessellation real feature values and atomic property dataRandy Jalem, Masanobu Nakayama, Yusuke Noda, Tam Le, Ichiro Takeuchi, Yoshitaka Tateyama & Hisatsugu Yamazaki