Publication Date:
2017-07-15
Description:
Author(s): Logan Ward, Ruoqian Liu, Amar Krishna, Vinay I. Hegde, Ankit Agrawal, Alok Choudhary, and Chris Wolverton While high-throughput density functional theory (DFT) has become a prevalent tool for materials discovery, it is limited by the relatively large computational cost. In this paper, we explore using DFT data from high-throughput calculations to create faster, surrogate models with machine learning (ML... [Phys. Rev. B 96, 024104] Published Fri Jul 14, 2017
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
Permalink