swMATH ID: 41831
Software Authors: Miron, G. D.; Kulik, D. A.; Dmytrieva, S. V.
Description: GEMSFITS: Codes and Graphical Shell for GEM Input Parameter Optimization and Inverse Modelling. Can fit internally consistent input parameters of chemical thermodynamic models against the experimental data. Is coupled with the GEMS3K code for Gibbs Energy Minimization calculation of equilibrium states. Allows for bound, (non-)linear (in-)equality constrained minimization of weighted squared residuals. Written in C/C++, available with source code, completely parallelizable on HPC architectures. Provides tools for statistical analysis with thorough evaluation of the fitted parameters uncertainty. Results of fitting and statistics can be visualized and printed in various graphical formats using the graphical shell. Can import, manage and query extensive sets of the experimental data accumulated in NoSQL database files
Homepage: https://gems.web.psi.ch/GEMSFITS/
Related Software: SEISCOPE
Cited in: 0 Publications