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)

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)

LOBSTER : Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theory. - Ryky Nelson; Christina Ertural; Janine George; Volker L. Deringer; Geoffroy Hautier; Richard Dronskowski (J. Comput. Chem., 2020)