Alex Ganose

Postdoc, Lawrence Berkeley National Laboratory


I’m an active contributor to several open-source software packages, particularly pymatgen, matminer, and automatminer. See my github page for more details.

Open-Source Software

A brief overview of the open-source software packages I maintain are listed below:

amset: An efficient framework for calculating electron scattering rates from first principles.

atomate: Computational workflows for high-throughput materials science.

IFermi: Tools for the generation, analysis and visualisation of Fermi surfaces.

robocrystallographer: Crystal structure text descriptions and analysis.

sumo: Heavyweight plotting tools for ab initio calculation data.

galore: A package to apply Gaussian and Lorentzian broadening to data from ab initio calculations.

materials-toolbox: A collection of small python and bash scripts to help with computational chemistry work (especially for those using VASP).

bapt: A script to plot publication-ready electronic band alignment diagrams.