Fast and simple way to electronic structure methods.

OpenJij : Framework for the Ising model and QUBO.

A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals

QuantaPlus is a light C++ template library for quantum mechanics problems

An open source program for the description of metastable electronic states in molecules.

DSQSS -- Discrete Space Quantum System Solver

Density Functional Theory with plane waves basis, applied on a 'quantum dot'. Volumetric visualization of orbitals with VTK

The "Non-Orthogonal Hermite Solver" library (NOHS) is a simple C++ library that implements the solution of the eigenvalue problem associated with a non-periodic one-dimensional quantum Hamiltonian by expansion of the problem over a set of non-orthogonal Hermite functions. The library automatically applies the canonical orthogonalization procedur…

Variational Quantum Monte Carlo for a molecule, using Fokker-Planck/Langevin approach

Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation

Augmented Plane Waves (both APW and LAPW), band structure computation

Software/library for simulations of quantum gates

Code for the comparison of the probability density of a classic oscilator with a quantum oscilator when N is big

Code for the solution of the time-independent Schrödinger equation for an anharmonic potential, using matching method

An open-source solver tool for the Maxwell-Bloch equations.

Representation of various quantum phenomena

Continuous Complex-Valued Cellular Automata: Inspired by Lenia and quantum mechanics, this cellular automaton evolves according to the Schrödinger equation, with a convolutional Hamiltonian. This project uses SFML for visualisation.

A simulator for laser-induced molecular orientation control

My solutions to the programming projects from Jos Thijssen's "Computational Physics" textbook.

C++ BSpline-library for use in basis expansions.