- Abinit – an open-source suite of programs for materials science.
- ALPS – open source software for Algorithms and Libraries for Physics Simulations.
- Ambient – parallel C++ through version control.
- BigDFT – a software package for physicists and chemists.
- Cadabra – a computer algebra system designed specifically for the solution of problems encountered in field theory.
- CERNLIB – was a set of Fortran 77 libraries and modules, developed at the European Organization for Nuclear Research CERN.
- CP2K – a freely available program, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems.
- FreeMat – a free environment for rapid engineering, scientific prototyping and data processing using the same language as Matlab and GNU Octave.
- Gnuplot – a command-line program that can generate two- and three-dimensional plots of functions, data, and data fits.
- GNU Octave – an open-source mathematical modeling and simulation software very similar to using the same language as Matlab and Freemat.
- kdotp-symmetry – a tool to calculate the general form of a
**k⋅p**Hamiltonian under a given symmetry constraint. - LabPlot – a free software and cross-platform computer program for interactive scientific graphing and data analysis.
- ProjectQ – open source software for quantum computing.
- QtiPlot – a cross-platform computer program for interactive scientific graphing and data analysis.
- Quantum Espresso – an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale.
- ROOT – an object-oriented program and library developed by CERN.
- SageMATH – mathematical software with features covering many aspects of mathematics.
- Scilab – free open-source software for numerical computation and simulation similar to Matlab/Simulink.
- Step – an open-source two-dimensional physics simulation engine.
- TBmodels – a Python package for evaluating tight-binding models.
- Texmaker – a cross-platform open source LaTeXeditor with an integrated PDF viewer.
- VESTA – Visualization for Electronic and STructural Analysis.
- VLI – library written in C++ for high but fixed precision (128 to 512-bit) arithmetic and symbolic polynomials computations.
- YAMBO code – a computer software package for studying many-body theory aspects of solids and molecule systems.
- Z2Pack – a tool for calculating topological invariants.

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