molecular-junction

There are 3 repositories under molecular-junction topic.

  • HoyLab-Rowan/RUQT

    Fortran code for performing Landauer NEGF calculations using advanced electronic structure methods particularly parametric 2-RDM (NEGF-RDM) and multi-configuration pair density functional theory (NEGF-MCPDFT).

    Language:Fortran7102

  • NicoRenaud/huskython

    Quantum transport for molecular junctions in python

    Language:Python1102

  • EPHoy-QC/RUQT_beta

    Fortran code for performing Landauer NEGF calculations using advanced electronic structure methods particularly parametric 2-RDM (NEGF-RDM) and multi-configuration pair density functional theory (NEGF-PDFT).

    Language:Fortran0101