Hoy Research Group

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5 repositories

pyRUQT
Public
Modular Python Code for Multiconfigurational Non-Equilibrium Green's Function Methodologies
quantum-chemistry negf greens-functions electron-transport charge-transport electron-correlation nanoelectronics molecular-electronics mc-pdft negf-dft
Python
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GNU General Public License v3.0
•4•3•0•0•Updated Nov 7, 2024Nov 7, 2024
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).
quantum-mechanics negf molecular-junction charge-transport electron-correlation
Fortran
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GNU General Public License v3.0
•2•7•0•0•Updated Jun 26, 2024Jun 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, 2022Nov 3, 2022
Python-Scripts-for-NEGF-Calculations
Public
GNU General Public License v2.0
•0•0•0•0•Updated Jun 22, 2022Jun 22, 2022
JunctionMod
Public
A student developed code for building simple molecular junctions for the RUQT transport code.
student negf-rdm-transport molecular-junctions
C++
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GNU General Public License v3.0
•1•0•0•0•Updated Aug 10, 2021Aug 10, 2021