Phoebe is an open-source code for the ab-initio computation of electron and phonon transport properties of crystalline materials.
It is designed to take advantage of HPC systems via MPI-OpenMP hybrid parallelism, memory-distributed computing via ScaLAPACK, and GPU accelerated calculation of scattering rates.
Tutorials, documentation of functionality and underlying theory can be found at:
For further questions and feature requests, please post on the discussions page for the git repo. If you feel you've found a bug or seen some unexpected behavior, please let us know by opening a git issue.
Phoebe is maintained by Jenny Coulter, currently at the Flatiron Institute (CCQ), in collaboration with the Kozinsky group at Harvard University and the Simoncelli group at Columbia University.
If you are interested in contributing to the development, please reach out to us by opening a discussion on the Phoebe repository or writing by email to discuss before beginning.