PhD in electrochemical double layer and meso-scale modelling 100 %

Stelle frei: Ab sofort

Beschreibung

This doctoral thesis is part of the European Marie Skłodowska-Curie doctoral training network “PREDICTOR”, which is made up of 22 partners. A total of 17 doctoral candidates will work in this project over a period of 36 months.

School: School of Engineering
Starting date: 1. April 2025 or earlier

Your role
The goal of this doctoral thesis is to develop scale-specific models to be included in a multi-scale framework for computational high-throughput screening of organic redox pairs. The recruited researcher will develop new models for the electrochemical double layer that capture important surface processes, including surface coverages of adsorbed species and multi-step reactions. In a second step, the formulated double layer model will be integrated into a pore-scale model describing the transport of mass, momentum, and charge through a porous electrode. The pore-scale model will be used to identify limiting factors of the electrochemical conversion and evaluate effective transport properties, including diffusion coefficients and effective reaction rates, which can be used in macrohomogeneous cell models. The developed models will be integrated into a multi-scale modelling framework in collaboration with other doctoral students.

Your profile
In accordance with the European Union's funding rules for doctoral networks, applicants must NOT yet have a PhD
The applicant must not have resided or carried out her/ his main activity (work, studies etc.) in Switzerland for more than 12 months in the past 3 years.
Excellent master's degree in computational science, physics, mathematics, engineering, or a related discipline
Familiarity with mathematical modelling and numerical methods for ordinary and partial differential equations
Experience in modelling and simulation of physical- and/or chemical- processes based on thermodynamics
Strong interest in working in a cross-disciplinary, collaborative project at the interface of electrochemistry and mathematical modelling
Experience in at least one programming language for scientific computing (C/C++, Matlab, Wolfram Language (Mathematica), Python, Julia, ...)
Good communication skills and willingness to work in collaborative projects with multiple partners and present results at conferences, project meetings and partners
Very good English language skills (German is beneficial)
Self-motivation and the ability to achieve goals independently as well as to contribute effectively to the team