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@HoyLab-Rowan

Hoy Research Group

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  1. pyRUQT Public

    Modular Python Code for Multiconfigurational Non-Equilibrium Green's Function Methodologies

    Python 3 4

  2. RUQT Public

    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 (N…

    Fortran 8 2

Repositories

Showing 5 of 5 repositories
  • pyRUQT Public

    Modular Python Code for Multiconfigurational Non-Equilibrium Green's Function Methodologies

    Python 3 GPL-3.0 4 0 0 Updated Mar 6, 2025
  • RUQT Public

    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).

    Fortran 8 GPL-3.0 2 0 0 Updated Jun 26, 2024
  • Maple-Workbooks-for-NEGF-Calculations Public

    These are Maple scripts that use the Hoy group's NEGF-RDM code and the QuantumChemistry Toolbox from Maple to perform NEGF calculations.

    0 0 0 0 Updated Nov 3, 2022
  • Python-Scripts-for-NEGF-Calculations Public
    0 GPL-2.0 0 0 0 Updated Jun 22, 2022
  • JunctionMod Public

    A student developed code for building simple molecular junctions for the RUQT transport code.

    C++ 0 GPL-3.0 1 0 0 Updated Aug 10, 2021