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CADET-Core
==========

CADET is developed at the Institute of Bio- and Geosciences 1 (IBG-1) of Forschungszentrum Jülich (FZJ) under supervision of Prof. Eric von Lieres.
The heart of the CADET software is CADET-Core, a fast and accurate solver for a comprehensive model family.
Typical applications include (but are by far not limited to) chromatography, filtration, crystallization, and fermentation.
CADET-Core can handle arbitrary sequences and networks of unit operations, including reactors, tanks, tubes, pumps, valves, detectors, etc.
The resulting models are solved with state-of-the-art mathematical algorithms and scientific computing techniques.

- **Forum:** https://forum.cadet-web.de
- **Source:** https://github.com/cadet/cadet-core
- **Demo:** http://cadet-web.de
- **Newsletter:** https://cadet-web.de/newsletter/

Features
--------

* Fast and accurate solution of strongly coupled partial differential algebraic equations (PDAE)
* Computation of parameter sensitivities with algorithmic differentiation (AD)
* Shared memory parallelization using Intel TBB
* Python interface
* Support of HDF5 and XML data formats
* Flexible and extensible through modular design
* Works on Windows, Linux, and Mac OS X


Installation
------------

CADET-Core can be installed via conda from the ``conda-forge`` channel.

``conda install -c conda-forge cadet``

This requires a working `conda installation <https://docs.anaconda.com/anaconda/install/index.html>`_.

Optionally, use `mamba <https://github.com/mamba-org/mamba>`_ which uses a faster dependency solver than ``conda``.

``mamba install -c conda-forge cadet``

For more information on how to install and build CADET, see :ref:`here <installation>`.

Ongoing Development
-------------------

We do our best to provide you with a stable API.
However, CADET-Core is actively developed and breaking changes can sometimes be unavoidable.
For non-developers, it is recommended to upgrade from release to release instead of always working with the most recent commit.


Bugs
----

Please report any bugs that you find `here <https://github.com/cadet/cadet-core/issues>`_. Or, even better, fork the repository on `GitHub <https://github.com/cadet/cadet-core>`_ and create a pull request (PR) with the fix. 

Donations
---------

`Donations <https://www.paypal.com/cgi-bin/webscr?cmd=_s-xclick&hosted_button_id=FCQ2M89558ZAG>`_ for helping to host, maintain, and further develop the CADET-Core project are highly appreciated.


Citing
------

The development of CADET-Core has been a collaborative effort, with multiple dedicated individuals contributing their expertise to create a powerful and versatile open-source software tool.
Countless hours of hard work have been invested to provide the scientific community with a valuable resource.
As an open-source project, CADET-Core relies on the support and recognition from users and researchers to thrive.
Therefore, we kindly ask that any publications or projects leveraging the capabilities of CADET-Core acknowledge its creators and their contributions by citing an adequate selection of our publications.

**General:**

- Leweke, S.; von Lieres, E.: `Chromatography Analysis and Design Toolkit (CADET) <https://doi.org/10.1016/j.compchemeng.2018.02.025>`_, Computers and Chemical Engineering **113** (2018), 274–294.

- von Lieres, E.; Andersson, J.: `A fast and accurate solver for the general rate model of column liquid chromatography <https://doi.org/10.1016/j.compchemeng.2010.03.008>`_, Computers and Chemical Engineering **34,8** (2010), 1180–1191.

**Major extensions:**

- Breuer, J. M.; Leweke, S.; Schmölder, J.; Gassner, G.; von Lieres, E.: `Spatial discontinuous Galerkin spectral element method for a family of chromatography models in CADET <https://doi.org/10.1016/j.compchemeng.2023.108340>`_, Computers and Chemical Engineering **177** (2023), 108340.

- Zhang, W.; Przybycien T., Schmölder J. , Leweke S. , von Lieres E.: `Solving crystallization/precipitation population balance models in CADET, part I: Nucleation growth and growth rate dispersion in batch and continuous modes on nonuniform grids <https://doi.org/10.1016/j.compchemeng.2024.108612>`_, Computers and Chemical Engineering 183 (2024), 108612.

- Püttmann, A.; Schnittert, S.; Naumann, U.; von Lieres, E.: `Fast and accurate parameter sensitivities for the general rate model of column liquid chromatography <http://dx.doi.org/10.1016/j.compchemeng.2013.04.021>`_, Computers and Chemical Engineering **56** (2013), 46–57.

Additionally, to ensure reproducibility of your work, we recommend citing the `zenodo doi <https://doi.org/10.5281/zenodo.8179015>`_ corresponding to the specific CADET-Core release that you used.

For a comprehensive list and guidance on citing CADET-Core publications, please refer to the publications section of the `documentation <https://cadet.github.io/master/publications.html>`_.

Acknowledgments
---------------

Please refer to the `list of authors and contributors <https://github.com/cadet/cadet-core/blob/master/AUTHORS.md>`_ who helped building and funding this project.


.. toctree::
    :maxdepth: 3
    :hidden:

    getting_started/index
    modelling/index
    simulation/index
    interface/index
    developer_guide/index
    CADET-Match <https://cadet.github.io/CADET-Match/master/index.html>
    license
    publications
    zbibliography
    Legal notice <https://www.fz-juelich.de/en/legal-notice>