Dissimilarity measure of local structure in inorganic crystals using Wasserstein distance to search for novel phosphors

To efficiently search for novel phosphors, we propose a dissimilarity measure of local structure using the Wasserstein distance. This simple and versatile method provides the quantitative dissimilarity of a local structure around a center ion. To calculate the Wasserstein distance, the local structu...

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Bibliographic Details
Main Authors: Shota Takemura, Takashi Takeda, Takayuki Nakanishi, Yukinori Koyama, Hidekazu Ikeno, Naoto Hirosaki
Format: Article
Language:English
Published: Taylor & Francis Group 2021-12-01
Series:Science and Technology of Advanced Materials
Subjects:
Online Access:http://dx.doi.org/10.1080/14686996.2021.1899555