TRIQS - Toolbox for Research on Interacting Quantum Systems
is a scientific project providing a set of C++ and Python libraries to develop new tools for the study
of interacting quantum systems. Includes the
TRIQS hybridization-expansion CT-QMC solver.
SOM - TRIQS-based stochastic optimization method for analytic
elk is an all-electron full-potential linearised
augmented-plane wave (FP-LAPW) code. Freely available under GNU/GPL.
Wien2k is an all-electron full-potential linearised
augmented-plane wave (FP-LAPW) code.
Wannier90, the computer program that calculates
maximally-localised Wannier functions.
TURBOMOLE, program package for ab initio electronic structure calculations
KWANT (Quantum transport simulations made easy) is a free
Python package for numerical calculations on tight-binding models with a strong focus on quantum transport.
ITensor is a C++ library for implementing tensor product wavefunction calculations.
Includes a complete DMRG code.
Quanty is a script language which allows the user to program quantum mechanical
problems in second quantization and when possible solve these. It can be used in quantum chemistry as post Hartree-Fock
or in one of the LDA++ schemes.
Mathematics and related stuff
OEIS - The On-line Encyclopedia of Integer Sequences