Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning

by Bharat Medasani, Anthony Gamst, Hong Ding, Wei Chen, Kristin A Persson, Mark Asta, Andrew Canning, Maciej Haranczyk
Published 2016-12-01

Coordination Characteristics of Uranyl BBP Complexes: Insights from an Electronic Structure Analysis

by Chaitanya Das Pemmaraju, Roy Copping, Danil E. Smiles, David K. Shuh, Niels Grønbech-Jensen, David Prendergast, Andrew Canning
Published 2017-03-01