FireWorks: a dynamic workflow system designed for high-throughput applications. - Anubhav Jain 001; Shyue Ping Ong; Wei Chen 043; Bharat Medasani; Xiaohui Qu; Michael Kocher; Miriam Brafman; Guido Petretto; Gian-Marco Rignanese; Geoffroy Hautier; Daniel K. Gunter; Kristin A. Persson (Concurr. Comput. Pract. Exp., 2015)

PyDII: A python framework for computing equilibrium intrinsic point defect concentrations and extrinsic solute site preferences in intermetallic compounds. - Hong Ding; Bharat Medasani; Wei Chen 043; Kristin A. Persson; Maciej Haranczyk; Mark Asta (Comput. Phys. Commun., 2015)

PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators. - Danny Broberg; Bharat Medasani; Nils E. R. Zimmermann; Guodong Yu; Andrew Canning; Maciej Haranczyk; Mark Asta; Geoffroy Hautier (Comput. Phys. Commun., 2018)

SIMSOPT: A flexible framework for stellarator optimization. - Matt Landreman; Bharat Medasani; Florian Wechsung; Andrew Giuliani; Rogerio Jorge; Caoxiang Zhu (J. Open Source Softw., 2021)

OpenMKM: An Open-Source C++ Multiscale Modeling Simulator for Homogeneous and Heterogeneous Catalytic Reactions. - Bharat Medasani; Sashank Kasiraju; Dionisios G. Vlachos (J. Chem. Inf. Model., 2023)