brucefan1983 / gpuqtLinks
A CUDA-implementation of linear-scaling quantum transport methods
☆28Updated 2 years ago
Alternatives and similar repositories for gpuqt
Users that are interested in gpuqt are comparing it to the libraries listed below
Sorting:
- Python modules for electron–phonon models☆37Updated this week
- Exchange parameters of Heisenberg model calculation via Green's function approach☆34Updated last year
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆23Updated 5 years ago
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆28Updated 5 years ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆61Updated 3 years ago
- A tutorial on the linear scaling quantum transport methods using Jupyter (with Python3)☆14Updated 6 years ago
- A tool for creating and manipulating tight-binding models.☆41Updated 10 months ago
- A Wannier90 python interface for VASP and PySCF☆41Updated 2 months ago
- Using different methods to calculate Chern number for Haldane model with disorder☆22Updated 7 years ago
- Construct phonon tight-binding model and calculate its topological properties☆27Updated 6 years ago
- Symmetry analysis and symmetrize in Wannier orbitals☆43Updated last year
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆33Updated 3 years ago
- Modeling and Crystallographic Utilities☆51Updated 2 years ago
- WEST code☆30Updated 5 months ago
- Band unfolding for phonons☆58Updated last year
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 3 years ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆26Updated last week
- Tutorials for the sisl-TBtrans-TranSiesta suite☆44Updated last month
- Tutorial for Wannier2022☆16Updated last month
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Updated last month
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- Massively parallel vibrational mode calculator.☆23Updated last year
- Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB mo…☆31Updated 3 years ago
- TDEP Tutorials☆34Updated 7 months ago
- D3Q + thermal2☆26Updated 2 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆35Updated 2 years ago
- Advanced Quantum ESPRESSO tutorial: Hubbard and Koopmans functionals from linear response☆23Updated 3 years ago