Publications
X Author: Bharat Medasan
2016
Medasani, Bharat, Anthony C. Gamst, Hong Ding, Wei Chen, Kristin A. Persson, Mark Asta, Andrew Canning, and Maciej Haranczyk."Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning."npj Computational Materials
2.1 (2016). DOI
2015
Jain, Anubhav, Shyue Ping Ong, Wei Chen, Bharat Medasan, Xiaohui Qu, Michael Kocher, Miriam Brafman, Guido Petretto, Gian-Marco Rignanese, Geoffroy Hautier, Daniel Gunter, and Kristin A. Persson."FireWorks: a dynamic workflow system designed for high-throughput applications."Concurrency and Computation: Practice and Experience
27.17 (2015) 5037 - 5059. DOI
Ding, Hong, Bharat Medasani, Wei Chen, Kristin A. Persson, Maciej Haranczyk, and Mark D. Asta."PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds."Computer Physics Communications
193 (2015) 118-123. DOI