10.6084/m9.figshare.11783637.v1
I-Te Lu
Marco Bernardi
NSF-CSSI-meeting-2020-poster-Bernardi-Lu
2020
figshare
NSF-CSSI-2020-Poster
2020-02-01 01:27:01
article
https://figshare.com/articles/NSF-CSSI-meeting-2020-poster-Bernardi-Lu/11783637
PERTURBO is a robust software platform to compute from first principles the scattering processes among electrons, phonons, defects, photons, and excitons in materials. The modular architecture of PERTURBO revolves around fast parallel routines to compute electron-phonon, electron-electron, electron-defect, and electron-photon scattering processes. The code employs novel techniques to compute and interpolate the matrix elements and converge the timescale for these scattering processes. PERTURBO uses inputs from density functional theory, density functional perturbation theory, and GW-BSE calculations, and is interfaced with routines to compute and output transport properties and ultrafast electron dynamics.