molecular-junction

There are 0 repository 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).

  charge-transportquantum-mechanicselectron-correlationmolecular-junctionnegf
  Language:Fortran 5

• NicoRenaud / huskython

  Quantum transport for molecular junctions in python

  quantum-transportmolecular-junctionnanoscience
  Language:Python 1

• 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).

  charge-transportquantum-chemistrynegfmolecular-junction
  Language:Fortran 0