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:
- A tutorial on the linear scaling quantum transport methods using Jupyter (with Python3)☆14Updated 6 years ago
- Python modules for electron–phonon models☆36Updated this week
- Real-time TDDFT for Quantum-Espresso☆24Updated 2 years ago
- 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
- A Wannier90 python interface for VASP and PySCF☆40Updated last month
- Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)☆24Updated last year
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- A tool for creating and manipulating tight-binding models.☆41Updated 8 months ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆59Updated 3 years ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆28Updated 5 years ago
- Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.☆26Updated 2 weeks 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
- ☆31Updated 6 months ago
- Post-processing of electron-phonon coupling calculations from Abinit☆16Updated 4 years ago
- Ab initio tight binding simuation package☆33Updated 4 months ago
- Symbolic manipulation of operator strings for quantum chemistry☆21Updated 2 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆33Updated last year
- Python tools for Quantum ESPRESSO☆36Updated last month
- Calculates transport dynamics of a customizable channel and contact configuration in the Non-Equilibrium Green's Function Formalism☆23Updated 11 years ago
- Band unfolding for phonons☆58Updated last year
- Modeling and Crystallographic Utilities☆51Updated 2 years ago
- Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)☆31Updated 2 months ago
- Python-based plane wave density functional theory code for educational purposes☆33Updated 8 months ago
- Using different methods to calculate Chern number for Haldane model with disorder☆22Updated 7 years ago
- BerkeleyGW python☆32Updated 3 years ago
- Crawford's Quantum Chemistry Exercises by Python approach☆32Updated 3 years ago
- D3Q + thermal2☆26Updated 3 weeks ago
- Massively parallel vibrational mode calculator.☆23Updated last year