A Universal 3D Voxel Descriptor for Solid-State Material Informatics with Deep Convolutional Neural Networks

Abstract Material informatics (MI) is a promising approach to liberate us from the time-consuming Edisonian (trial and error) process for material discoveries, driven by machine-learning algorithms. Several descriptors, which are encoded material features to feed computers, were proposed in the last...

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Bibliographic Details
Main Authors: Seiji Kajita, Nobuko Ohba, Ryosuke Jinnouchi, Ryoji Asahi
Format: Article
Language:English
Published: Nature Portfolio 2017-12-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-017-17299-w