nakib/elphbolt

Electronic transport properties from first-principles calculations

Ab initio simulator for thermal transport and lattice anharmonicity

Anharmonic Lattice Dynamics

The Temperature Dependent Effective Potentials (TDEP) code

An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity

User-friendly open-source software to design and solve tight-binding models, addressing electronic properties, topology, interactions, non-collinear magnetism, and unconventional superconductivity, among others.

The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).

A simulation package of phonon-phonon interaction related properties

DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.