Articles | Volume 18, issue 19
https://doi.org/10.5194/gmd-18-6951-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Special issue:
https://doi.org/10.5194/gmd-18-6951-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Development and technical paper
| 
09 Oct 2025
Development and technical paper |
| 09 Oct 2025
| 09 Oct 2025
A bound-constrained formulation for complex solution phase minimization
Nicolas Riel
CORRESPONDING AUTHOR
Institute of Geosciences, Johannes Gutenberg-University, Mainz, Germany
Terrestrial Magmatic Systems (TeMaS) research center, Johannes Gutenberg-University, Mainz, Germany
Boris J. P. Kaus
Institute of Geosciences, Johannes Gutenberg-University, Mainz, Germany
Terrestrial Magmatic Systems (TeMaS) research center, Johannes Gutenberg-University, Mainz, Germany
Mainz Institute of Multiscale Modelling (M³ODEL), Johannes Gutenberg-University, Mainz, Germany
Albert de Montserrat
Department of Earth Sciences, Institut für Geophysik, ETH Zürich, 8092 Zürich, Switzerland
Evangelos Moulas
Institute of Geosciences, Johannes Gutenberg-University, Mainz, Germany
Terrestrial Magmatic Systems (TeMaS) research center, Johannes Gutenberg-University, Mainz, Germany
Mainz Institute of Multiscale Modelling (M³ODEL), Johannes Gutenberg-University, Mainz, Germany
Eleanor C. R. Green
School of Geography, Earth and Atmospheric Sciences, The University of Melbourne, Victoria 3010, Australia
Hugo Dominguez
Institute of Geosciences, Johannes Gutenberg-University, Mainz, Germany
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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.
Our research focuses on improving the way we predict mineral assemblage. Current methods, while...
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