There are 0 repository under charge-transport topic.
Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
Solid state detector field and charge drift simulation in Julia
This small repository provides functionality for calculating the charge transfer integrals between two molecules.
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).
Modular Python Code for Multiconfigurational Non-Equilibrium Green's Function Methodologies
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).
Numerical algorithms to study spectral properties of numerically exact stationary and moving polarobreathers