f-fathurrahman / PWDFT.jl
Plane wave density functional theory using Julia programming language
☆112Updated this week
Related projects: ⓘ
- This can construct the tight-binding model and calculate energies☆85Updated 9 months ago
- Fast and flexible nonadiabatic molecular dynamics in Julia!☆57Updated 3 weeks ago
- Fermi quantum chemistry program☆135Updated 5 months ago
- Brillouin zones and paths for dispersion calculations in Julia.☆47Updated 2 weeks ago
- Tight-binding package written in Julia☆51Updated 10 months ago
- A playground for Wannier functions☆26Updated last week
- A mirror of https://gitlab.kwant-project.org/qt/qsymm☆40Updated 2 months ago
- A simple Hartree-Fock implementation in Julia☆13Updated 4 years ago
- KITE Quantum Transport Software☆28Updated 10 months ago
- ☆19Updated last year
- Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆26Updated 3 months ago
- Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.☆43Updated last year
- ☆28Updated this week
- Topological Insulators - Notebooks for an introductory course☆24Updated 8 years ago
- Hamiltonian generator and several algorithms, including TBA, ED, CPT/VCA and DMRG, etc.☆32Updated last year
- Spin dynamics and generalization to SU(N) coherent states☆81Updated this week
- Classical Monte Carlo simulations for lattice spin systems☆46Updated 2 months ago
- A research-grade quantum chemistry program written in Julia☆63Updated 3 years ago
- Scientific Python package for solving Slater Koster tight-binding topological hamiltonian☆47Updated last year
- Julia Library for Interatomic Potentials☆83Updated last week
- A continuous-time hybridization-expansion Monte Carlo code for calculating n-particle Green's functions of the Anderson impurity model an…☆50Updated last week
- Julia code for the computation of Wannier functions☆21Updated 5 years ago
- Package to handle integrals over Gaussian-type atomic orbitals.☆28Updated 3 months ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆51Updated 2 years ago
- Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure…☆31Updated 3 months ago
- A Julia package for calculating irreducible Brillouin zones for 2D or 3D crystal structures.☆35Updated 6 months ago
- Extended DeepH (xDeepH) method for magnetic materials.☆32Updated last year
- Add-on package to ITensors.jl for chemistry.☆19Updated this week
- Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and inclu…☆76Updated this week
- Computational tools for light-matter interaction including a whole zoo of nonlinear spectroscopic signals; nonadiabatic molecular dynamic…☆15Updated 3 weeks ago