For the last 17 years, the Paul Scherrer Institute (PSI) has been leading the development of an international cooperative project, Gibbs Energy Minimization Software for Thermodynamic Modelling (GEMS ™). The PSI is the largest research institute for natural and engineering sciences in Switzerland that performs world-class research in three main subject areas: Matter and Material; Energy and the Environment; and Human Health.
Svitlana Dmytrieva, a developer from Ciklum R&D team has been developing code for the GEMS ™ software during the last 10 years.
The software is designed to model physicochemical processes and the core code of the GEMS ™ software is encompassed in other software products.
The technologies used for developing the code:
- QT 5 (for interface part)
The developed code is partially available in the open source:
The “heart” of GEMS ™ is a numerical engine that can solve virtually any geochemical thermodynamic modeling problem by the method of Gibbs energy minimization (GEM).
The GEMS ™ creates and maintains a software collection of choice for computational thermodynamic modeling of the complex (geo)chemical systems. The goal of such modeling is to improve understanding of (geo)chemical processes and to predict their evolution at various temperature, pressure, bulk elemental composition, time conditions.
GEMS ™ has been extensively used as a key part of the geochemical modeling support for the Swiss radioactive waste management program (Nagra), as well as in many other research projects around the world.