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physics.comp-ph2020
Feature space of XRD patterns constructed by auto-encorder
Keishu Utimula, Masao Yano, Hiroyuki Kimoto +3
It would be a natural expectation that only major peaks, not all of them, would make an important contribution to the characterization of the XRD pattern. We developed a scheme tha…
cond-mat.mtrl-sci2020
Intrinsic Electronic Defect States of Anatase using Density Functional Theory
Abhishek Raghav, Adie Tri Hanindriyo, Keishu Utimula +3
In this work an overall electronic structure including the position and formation energies of various intrinsic defects are computed for anatase using Density Functional Theory aid…