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amelethdf-fortran

ascii-phonons

Blender extensions for illustrations of phonons

bolos

An open source solver for the Boltzmann equation

cartan-quantum-synthesizer

Quantum Computing -- Unitary synthesis based on Cartan decomposition

comsuite

csm

An Introduction to Computer Simulation Methods

cygutz

A versatile Gutzwiller solver to optimize the single Slater determinant and local many-body degrees of freedom simultaneously within the Gutzwiller approximation or equivalently Slave-boson approach.

cygutz_work

Records of DFT+G-RISB calculations.

dcore

DMFT software for CORrelated Electrons

deerqmc

Determinantal Quantum Monte Carlo implemented in Python, Numpy, and Scipy

detqmc

Generic C++ code for replica exchange determinantal quantum Monte Carlo (DQMC) simulations of strongly correlated itinerant electron systems in condensed matter physics. Includes implementations for the O(N) metallic spin density wave model and the repulsive Hubbard model.

dft_tools

Interface to DFT codes

dftatom

Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations

dftbplus

DFTB+ general package for performing fast atomistic simulations

dmft-ed

A General Purpose solver for the Dynamical Mean-Field Theory based on the Lanczos method. This code solves the DMFT problem in the Normal (N_up,N_dw), Superconducting (S_z) and non-SU(2) symmetric (N) cases.

dynaphopy

Phonon Analysis from Molecular Dynamics Data

elk_interface-triqs

em-pyquil

Quantum Error Mitigation with PyQuil

forest-tutorials

Binder repository of interactive tutorial notebooks for pyQuil and Forest.

gqce.github.io

GQCE FWP website.

gqce_pam

Gutzwiller quantum-classical embedding calculations for the periodic Anderson model

gutzwiller_single_imp_phsym

gutzwiller_slave-bosons

h5pytools

Simple commands to deal with hdf5 files.

hardware_introduction

What scienfitic programmers must know about CPUs and RAM to write fast code.

hefei-namd

ab-initio nonadiabatic molecular dynamics program

hubbard-gpu

Calculate the groundstate energy of 1D and 2D Fermi-Hubbard model on the GPU with Cuda.

hubbardi

Hubbard I solver

hybrid-perovskites

DFT optimised crystal structures of inorganic and hybrid halide perovskites

irvsp

Please cite this code: J. Gao, Q. Wu, C. Persson, Z. Wang, Irvsp: To obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10.1016/j.cpc.2020.107760.