2018_nsf_poster.pdf (22.41 MB)
PERTURBO: A software platform for accelerated discovery of microscopic processes in materials
journal contribution
posted on 2018-04-23, 21:32 authored by Luis AgapitoLuis Agapito, Jinjian ZhouJinjian Zhou, Marco BernardiCharge 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.