Attribute driven inverse materials design using deep learning Bayesian framework

Tagade, PM; Adiga, SP; Pandian, S; Park, MS; Hariharan, KS; Kolake, SM

Tagade, PM; Adiga, SP (reprint author), Samsung R&D Inst, Samsung Adv Inst Technol, Next Gen Res, Bangalore 560037, Karnataka, India.

NPJ COMPUTATIONAL MATERIALS, 2019; 5 ():

Abstract

Much of computational materials science has focused on fast and accurate forward predictions of materials properties, for example, given a molecular s......

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