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  • Argonne National Lab
  • Richland, WA

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  1. BEC_QSPR BEC_QSPR Public

    predict born effective charges using e3nn

    Jupyter Notebook

  2. perovskite_traj_analysis perovskite_traj_analysis Public

    Jupyter Notebook

  3. decopy decopy Public

    {Incomplete} goal: calculate spin decoherence in given geometry through spin diffusion model.

    Jupyter Notebook 1

  4. pysotropy pysotropy Public

    Forked from jrbp/pysotropy

    python interface to isotropy

    Python

  5. SWCNT-exciton-decoherence SWCNT-exciton-decoherence Public

    Forked from diegobarrutia/BU-PRO-Research

    Simulate exciton decoherence thru exciton-phonon coupling for a given carbon nanotube

    Python