Pedram Tavadze

PyProcar: A Python library for electronic structure pre/post-processing

Xu He, Eric Bousquet, Aldo H. Romero, 2019, Comput. Phys. Commun..

MechElastic: A Python library for analysis of mechanical and elastic properties of bulk and 2D materials

Aldo H. Romero, Uthpala Herath, Franccois-Xavier Coudert, 2020, Comput. Phys. Commun..

A Machine-Driven Hunt for Global Reaction Coordinates of Azobenzene Photoisomerization.

Pedram Tavadze, James P. Lewis, Pengju Ren, 2018, Journal of the American Chemical Society.