charge-transport

There are 9 repositories under charge-transport topic.

  • chgnet

    CederGroupHub/chgnet

    Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

    Language:Python24466165
  • SolidStateDetectors.jl

    JuliaPhysics/SolidStateDetectors.jl

    Solid state detector field and charge drift simulation in Julia

    Language:Julia8297232

  • votca/votca

    The source of the votca-csg and xtp packages

    Language:C++48922029
  • QC_Tools

    JoshuaSBrown/QC_Tools

    This small repository provides functionality for calculating the charge transfer integrals between two molecules.

    Language:C++2822714

  • 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).

    Language:Fortran7102

  • HoyLab-Rowan/pyRUQT

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

    Language:Python3204

  • legend-exp/MJDSigGen.jl

    Work in progress

    Language:Julia21083

  • 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).

    Language:Fortran0101

  • jbajars/ExactPolarobreathers

    Numerical algorithms to study spectral properties of numerically exact stationary and moving polarobreathers

    Language:MATLAB0100