f-fathurrahman / ffr-ElectronicStructure.jl
Electronic structure calculations using Julia
☆14Updated 3 years ago
Alternatives and similar repositories for ffr-ElectronicStructure.jl:
Users that are interested in ffr-ElectronicStructure.jl are comparing it to the libraries listed below
- Julia code for the computation of Wannier functions☆22Updated 6 years ago
- Draft for my book about implementing density functional theory☆18Updated 2 months ago
- A mathematical look on density-functional theory and DFTK☆34Updated 3 years ago
- Learning how to code a package for solving simple Hartree-Fock electronic structure calculations.☆20Updated 4 years ago
- Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaro…☆27Updated 4 months ago
- QMCPACK Users Workshop 2019☆13Updated 5 years ago
- Library of common lattices in condensed matter physics. Includes lattice definitions, reciprocal lattices, and plotting tools.☆18Updated 3 years ago
- Numerical Effective Field Theory for Quantum Materials☆36Updated 2 years ago
- A playground for Wannier functions☆36Updated this week
- Plane wave density functional theory using Julia programming language☆118Updated this week
- Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure…☆34Updated this week
- Tools for geometric learning☆11Updated 6 months ago
- KITE Quantum Transport Software☆28Updated last year
- Electrochemical reaction rate modeling and nonequilibrium phase maps (via AD)☆22Updated last year
- solid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.☆33Updated this week
- The project represents a Python framework for computing the electron transport characteristics using the non-equilibrium Green's function…☆12Updated 5 years ago
- Demystify the undocumented Quantum ESPRESSO input/output☆12Updated last year
- Package to handle integrals over Gaussian-type atomic orbitals.☆29Updated 3 weeks ago
- Hartree-Fock-Bogoliubov solver for a generic interacting fermion Hamiltonian☆16Updated 4 years ago
- Julia Bindings for Atomic Simulation Environment☆37Updated 4 years ago
- Accurate and fast tight-binding calculations, using pre-fit coefficients and three-body terms.☆26Updated this week
- Fast and flexible nonadiabatic molecular dynamics in Julia!☆62Updated 3 weeks ago
- A short lecture introducing plane-wave DFT methods and DFTK☆12Updated 2 years ago
- Introduction to classical Monte Carlo methods☆22Updated 3 years ago
- Brillouin zones and paths for dispersion calculations in Julia.☆51Updated last month
- Reference implementation of GW☆13Updated 5 years ago
- An extensible path integral quantum Monte Carlo code that operates at T ≥ 0☆22Updated 2 weeks ago
- DFT control☆11Updated last year
- PyHEOM: Python 3 library to simulate open quantum dynamics based on HEOM theory☆15Updated 2 years ago
- julia package for working with Keldysh Green's functions☆32Updated last year