Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows

Published in Computational Materials Science, 2017

Recommended citation: K Mathew, JH Montoya, A Faghaninia, S Dwarakanath, M Aykol, H Tang, ... Computational Materials Science 139, 140-152 https://www.sciencedirect.com/science/article/pii/S0927025617303919