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License and Citation

License Agreement

VeloxChem is distributed under the BSD 3‑Clause License, reproduced here:

BSD 3-Clause License

Copyright (c) 2020–present, VeloxChem Developers.
All rights reserved.

Redistribution and use in source and binary forms, with or without
modification, are permitted provided that the following conditions are met:

1. Redistributions of source code must retain the above copyright notice,
   this list of conditions and the following disclaimer.

2. Redistributions in binary form must reproduce the above copyright notice,
   this list of conditions and the following disclaimer in the documentation
   and/or other materials provided with the distribution.

3. Neither the name of the project nor the names of its contributors may be
   used to endorse or promote products derived from this software without
   specific prior written permission.

THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDERS OR CONTRIBUTORS BE LIABLE
FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.

How to Cite VeloxChem

If you use VeloxChem in scientific work, please cite the following reference:

@article{veloxchem,
author = {Rinkevicius, Zilvinas and Li, Xin and Vahtras, Olav and Ahmadzadeh, Karan and Brand, Manuel and Ringholm, Magnus and List, Nanna Holmgaard and Scheurer, Maximilian and Scott, Mikael and Dreuw, Andreas and Norman, Patrick},
title = {VeloxChem: A Python-driven density-functional theory program for spectroscopy simulations in high-performance computing environments},
journal = {WIREs Comput. Mol. Sci.},
volume = {10},
number = {5},
pages = {e1457},
doi = {10.1002/wcms.1457},
year = {2020}
}