brucefan1983 / gpuqt
A CUDA-implementation of linear-scaling quantum transport methods
☆26Updated last year
Related projects ⓘ
Alternatives and complementary repositories for gpuqt
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆19Updated 4 years ago
- Python modules for electron–phonon models☆29Updated last week
- Tutorials for the sisl-TBtrans-TranSiesta suite☆33Updated last week
- A tutorial on the linear scaling quantum transport methods using Jupyter (with Python3)☆14Updated 5 years ago
- Julia codes to play with Phonons☆22Updated 6 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆43Updated last week
- Fermi surface generation, analysis and visualisation.☆88Updated 3 weeks ago
- Modeling and Crystallographic Utilities☆45Updated last year
- Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT☆34Updated 3 months ago
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆52Updated 2 months ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆38Updated 4 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆22Updated 9 months ago
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆47Updated last year
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆32Updated 2 weeks ago
- Real-time TDDFT for Quantum-Espresso☆23Updated last year
- Software to study polarization and topological properties of crystalline solids☆27Updated last week
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆62Updated 2 months ago
- A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials☆10Updated 5 years ago
- Massively parallel vibrational mode calculator.☆22Updated 3 months ago
- a python package for computing magnetic interaction parameters☆71Updated this week
- A tool for creating and manipulating tight-binding models.☆35Updated 4 months ago
- Band unfolding for phonons☆50Updated 3 weeks ago
- Advanced tool for Wannier interpolation and integration of k-space integrals☆95Updated this week
- Ab initio tight binding simuation package☆20Updated 11 months ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆24Updated 8 months ago
- Lecture materials for: Ab initio methods in solid state physics.☆21Updated last month
- Symmetry analysis and symmetrize in Wannier orbitals☆40Updated 6 months ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)☆37Updated last week
- Exchange parameters of Heisenberg model calculation via Green's function approach☆33Updated 8 months ago