Moving closer to experimental level materials property prediction using AI

Abstract While experiments and DFT-computations have been the primary means for understanding the chemical and physical properties of crystalline materials, experiments are expensive and DFT-computations are time-consuming and have significant discrepancies against experiments. Currently, predictive...

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Bibliographic Details
Main Authors: Dipendra Jha, Vishu Gupta, Wei-keng Liao, Alok Choudhary, Ankit Agrawal
Format: Article
Language:English
Published: Nature Portfolio 2022-07-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-022-15816-0