PERTURBO: A software platform for accelerated discovery of microscopic processes in materials

Abstract

Solid-state technologies depend crucially on charge carrier scattering and dynamics. Charge carriers are scattered by quasiparticles and excitations in materials (e.g. phonons, defects, photons, electrons, holes, etc.) PERTURBO is a robust platform to study these electron scattering processes using first-principles calculations and many-body perturbation theory. PERTURBO fills a void in the software ecosystem to design advanced materials, and will foster scientific and technological innovation. PERTURBO combines new computational methods developed in our group. The code implementation adopts modern programming practices (HDF5, version control, MPI/OpenMP) and will be distributed under the standard open GPL license.

Files

Additional details