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).

JunctionMod

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

Maple-Workbooks-for-NEGF-Calculations

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

pyRUQT

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

Python-Scripts-for-NEGF-Calculations

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).

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).