Pinned Repositories
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).
Hoy Research Group 's Repositories
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).
HoyLab-Rowan/pyRUQT
Modular Python Code for Multiconfigurational Non-Equilibrium Green's Function Methodologies
HoyLab-Rowan/JunctionMod
A student developed code for building simple molecular junctions for the RUQT transport code.
HoyLab-Rowan/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.
HoyLab-Rowan/Python-Scripts-for-NEGF-Calculations