Job opening: Marie Curie PhD fellowship – COSMO-RS / Thermodynamics for Electrolytes
We are looking for a PhD student to develop advanced thermodynamic methods for accurately calculating solubility and solution free energy, with a particular emphasis on electrolyte systems. The focus is on improving and expanding SCM’s existing methodologies, including COSMO-RS, Pitzer-Debye-Hückel, and machine learning (ML)-based approaches. The primary goal is to develop robust methodologies and software tools that facilitate more accurate calculations for electrolyte systems.
The position involves addressing key challenges such as refining general parameters that are relevant to both short-range interactions, as modelled by COSMO-RS, and long-range interactions, as described by Pitzer-Debye-Hückel models. Furthermore, the project seeks to integrate data-driven approaches to enhance ML-based models, thereby improving solubility predictions and estimating key physical properties that required in the calculation framework.
The position is open to theoretical chemistry/physics MSc graduates with an interest in thermodynamic models.
