Skip to content
@verdi-group

Verdi Group @ UQ

Computational Quantum Materials Group at UQ
README.md

Verdi group

Welcome to the Verdi group's GitHub organization! 👋 This is where we host the code we develop in our group:

  • plumipy: Python package for calculating photoluminescence spectra from constrained DFT.
  • aiida-pl: Workflows for calculating the required inputs for the plumipy code.
  • aiida-defects-neb: Workflows for calculating transition barriers of defect migrations.
  • MLIP-Workflows: Python Package for running (or benchmarking) NEB / Phonon calculations with many MLIPs.

Note

We only just started collaborating on GitHub, so it's still very quiet here! Expect more code and documentation to be published here in the coming months.

Pinned Loading

  1. plumipy plumipy Public

    Python package for calculating photoluminescence spectra from constrained DFT

    Python 1 1

  2. aiida-defects-neb aiida-defects-neb Public

    Exploring NEB workflows for defects

    Python 1

  3. aiida-pl aiida-pl Public

    First version of an AiiDA package/repository for calculating Photoluminescence spectra. Beware: here be dragons!

    Python

  4. MLIP-Workflows MLIP-Workflows Public

    Useful for: Accelerating computational materials workflows using your choice of MLIP (many accounted for). Includes the acceleration of NEB, Phonon and Bandpath calculation, AND Model benchmarking …

    Python

Repositories

Showing 6 of 6 repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…