CCES Unicamp

High Performance Collision Cross Section Calculation – HPCCS

High Performance Collision Cross Section Calculation – HPCCS

The High Performance Collision Cross Section (HPCCS) is a new software for fast and accurate calculation of CCS for molecular ions. Based on the Trajectory Method (TM), HPCCS was parallelized and optimized to be an user-friendly program.

Availabilty: https://github.com/cepid-cces/hpccs

Citation: Zanotto, L., Heerdt, G., Souza, P. C. T., Araujo, G. & Skaf, M. S. (in press). High Performance Collision Cross Section Calculation – HPCCS. Journal of Computational Chemistry, 2018, DOI: 10.1002/jcc.25199.

This program is licensed granted by STATE UNIVERSITY OF CAMPINAS – UNICAMP (the “University”) for use of HIGH PERFORMANCE COLLISION CROSS SECTION – HPCCS (“the Software”).

By downloading the Software through the Website, you (the “Licensee”) are confirming that you agree that your use of the Software is subject to the academic license terms. For more information about HPCCS please contact: skaf@iqm.unicamp.br (Munir Skaf) or leandro.zanotto@gmail.com (Leandro Zanotto).

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