PERTURBO: A software platform for accelerated discovery of microscopic processes in materials
Luis Agapito
Jin-Jian Zhou
Vatsal Jhalani
Marco Bernardi
10.6084/m9.figshare.4663957.v1
https://figshare.com/articles/poster/PERTURBO_A_software_platform_for_accelerated_discovery_of_microscopic_processes_in_materials/4663957
<div>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.)</div><div><br></div><div>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.</div><div><br></div><div>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. </div><div><br></div>
2017-02-17 01:13:55
NSF-SI2-2017
Perturbo
Applied Physics