Published 2017 | Version Published
Conference Paper Open

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.

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Additional details

Identifiers

Eprint ID
99541
Resolver ID
CaltechAUTHORS:20191029-132109124

Funding

NSF
Natural Sciences and Engineering Research Council of Canada (NSERC)

Dates

Created
2019-10-29
Created from EPrint's datestamp field
Updated
2019-10-31
Created from EPrint's last_modified field