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

Agapito, Luis and Zhou, Jin-Jian and Jhalani, Vatsal and Bernardi, Marco (2017) PERTURBO: A software platform for accelerated discovery of microscopic processes in materials. In: UNSPECIFIED.

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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.

Item Type:Conference or Workshop Item (Poster)
Zhou, Jin-Jian0000-0002-1182-9186
Jhalani, Vatsal0000-0003-0866-0858
Bernardi, Marco0000-0001-7289-9666
Funding AgencyGrant Number
Natural Sciences and Engineering Research Council of Canada (NSERC)UNSPECIFIED
Record Number:CaltechAUTHORS:20191029-132109124
Persistent URL:
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:99541
Deposited By: Tony Diaz
Deposited On:29 Oct 2019 20:28
Last Modified:31 Oct 2019 23:43

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