Geoffroy Hautier

Publication Activity (10 Years)

Years Active: 2015-2020
Publications (10 Years): 2

Top Topics

Modeling Framework

Mass Spectrometry Data

Top Venues

J. Comput. Chem.

Comput. Phys. Commun.

Concurr. Comput. Pract. Exp.

Publications

Ryky Nelson, Christina Ertural, Janine George, Volker L. Deringer, Geoffroy Hautier, Richard Dronskowski
LOBSTER : Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theory. J. Comput. Chem. 41 (21) (2020)
Danny Broberg, Bharat Medasani, Nils E. R. Zimmermann, Guodong Yu, Andrew Canning, Maciej Haranczyk, Mark Asta, Geoffroy Hautier
PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators. Comput. Phys. Commun. 226 (2018)
Anubhav Jain, Shyue Ping Ong, Wei Chen, Bharat Medasani, Xiaohui Qu, Michael Kocher, Miriam Brafman, Guido Petretto, Gian-Marco Rignanese, Geoffroy Hautier, Daniel K. Gunter, Kristin A. Persson
FireWorks: a dynamic workflow system designed for high-throughput applications. Concurr. Comput. Pract. Exp. 27 (17) (2015)