Cantera is a collection of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and transport processes.
Cantera utilizes object-oriented concepts for robust yet flexible phase models, and algorithms are generalized so that users can explore different phase models with minimal changes to their overall code.
Functionality provided:
- Evaluate thermodynamic and transport properties of mixtures.
- Compute chemical equilibrium.
- Evaluate species chemical production rates.
- Conduct kinetics simulations with large reaction mechanisms.
- Simulate one-dimensional flames.
- Conduct reaction path analysis.
- Create process simulations using networks of stirred reactors.
- Model non-ideal fluids.
Cantera can be used from Python and Matlab, or in applications written in C++ and Fortran 90.
This is free and open source software.
Website: github.com/Cantera/cantera
Support:
Developer: Cantera Developers
License: 3-clause BSD License
Cantera is written in C++ and Python. Learn C++ with our recommended free books and free tutorials. Learn Python with our recommended free books and free tutorials.
Related Software
| Chemistry Tools | |
|---|---|
| GROMACS | Versatile package to perform molecular dynamics |
| tomviz | Process, visualize, and analyze 3D tomographic data |
| Psi4 | Ab initio quantum chemistry software |
| NWChem | Ab initio computational chemistry software package |
| PyMOL | OpenGL molecular graphics system written in Python |
| LAMMPS | Classical molecular dynamics simulator |
| CP2K | Atomistic simulations of solid state, liquid, molecular and biological systems |
| RDKit | Cheminformatics and machine-learning software |
| GAMESS | General ab initio quantum chemistry package |
| Avogadro | Advanced molecular editor |
| OpenMM | High-performance toolkit for molecular simulation |
| Gabedit | Graphical user interface to computational chemistry packages |
| Open Babel | Converts and manipulates chemical data files |
| Jmol | Viewer for three-dimensional chemical structures |
| pyscf | Quantum chemistry framework |
| Kalzium | Full-featured chemistry application for KDE 5 |
| Ketcher | Web-based chemical structure editor |
| XDrawChem | 2D editor for chemical structures and reactions |
| Cantera | Chemical kinetics, thermodynamics, and transport tool suite |
| Orac | OpenMP/MPI molecular dynamics engine to simulate solvated biomolecules |
| JChemPaint | Chemical 2D structure editor |
| MPQC | Computes the properties of molecules, ab initio |
| Indigo | Universal cheminformatics toolkit for working with molecules and reactions |
| GPAW | Python package for density-functional theory calculations |
| DFTB+ | General package for performing fast atomistic calculations |
| BKChem | 2D molecule editor written in Python |
| MDynaMix | General purpose molecular dynamics |
| ChemCanvas | 2D chemical drawing tool |
| MoleQueue | Abstract, manage, and coordinate the execution of tasks |
Read our verdict in the software roundup.
 Explore our carefully curated directory of recommended free and open source software, covering every major software category.The directory forms part of our extensive collection of articles for Linux enthusiasts. It includes hundreds of detailed reviews, together with free and open source alternatives to proprietary software from companies such as Google, Microsoft, Apple, Adobe, IBM, Cisco, Oracle, and Autodesk. LinuxLinks also covers interesting projects worth exploring, Linux-compatible hardware, free programming books and tutorials, and much more. Know a useful free and open source Linux application that we haven’t covered? Tell us about it using our submission form. |
Please read our Comment Policy before commenting.