Articles | Volume 18, issue 19
https://doi.org/10.5194/gmd-18-6951-2025
https://doi.org/10.5194/gmd-18-6951-2025
Development and technical paper
 | 
09 Oct 2025
Development and technical paper |  | 09 Oct 2025

A bound-constrained formulation for complex solution phase minimization

Nicolas Riel, Boris J. P. Kaus, Albert de Montserrat, Evangelos Moulas, Eleanor C. R. Green, and Hugo Dominguez

Model code and software

An unconstrained formulation for complex solution phase minimization (Codes) Nicolas Riel et al. https://doi.org/10.5281/zenodo.13982544

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Short summary
Our research focuses on improving the way we predict mineral assemblage. Current methods, while accurate, are slowed by complex calculations. We developed a new approach that simplifies these calculations and speeds them up significantly using a technique called the Broyden-Fletcher-Goldfarb-Shanno (BFGS) algorithm. This breakthrough reduces computation time by more than five times, potentially unlocking new horizons in modeling reactive magmatic systems.
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