Doctoral student in developing PEM fuel cells by multiscale modeling

About the role

Chemical Physics develops sustainable energy systems by using heterogeneous (electro) catalysis for alternative fuel production, emission control, energy storage, and fuel cells. The research is interdisciplinary with strong connections between fundamental and applied science. Chemical Physics is a dynamic and international environment that strives for scientific excellence through teamwork and combined theoretical and experimental efforts. The theoretical activities at Chemical Physics focus on electronic structure calculations within the density functional theory together with mean-field modeling and Monte-Carlo simulations for reaction kinetics. By linking quantum mechanical calculations with kinetic modeling, it is possible to bridge both length and time scales. About the research project Proton-exchange membrane fuel cells (PEMFC) convert the chemical energy in hydrogen to electrical energy. The main parts of a PEMFC are the anode, cathode and electrolyte. The reactions at the anode and cathode electrodes are catalyzed by metal nanoparticles on carbon. A current issue for large scale implementation of the PEMFC technology is long-term stability. The project will use atomistic first principles methods to understand the governing mechanism for fuel cell degradation. Increased understanding of the governing processes will provide information on how catalysts could be improved and how the system should be operated to minimize degradation. The project is a collaboration between Volvo Technology AB and Chemical Physics at Chalmers. Who we are looking for The following requirements are mandatory: To qualify as a Doctoral student, you must have a Master's degree (masterexamen) of 120 credits or a Master's degree (magisterexamen) of 60 credits* in in Physics, Chemistry or Materials Science* Background in quantum mechanics, thermodynamics and statistical mechanichs Documented experience in programming Strong interest in atomistic modeling of surface reactions Good communication skills in written and spoken English *for students with an education earned outside of Sweden, a 4-year Bachelor's degree is accepted. The following experience will strengthen your application: Experience in atomic scale modeling Experience from modeling reaction kinetics Experience in python programming

Responsibilities

• Perform research in the project
• Develop your own scientific concepts and communicate the results of your research verbally and in writing
• Take courses at an advanced level within the Graduate school of Materials Science or Physics (https://www.chalmers.se/en/research/we-train-new-researchers/graduate-schools/ )
• The position generally also includes teaching on Chalmers' undergraduate level or performing other duties corresponding to 20 percent of working hours
• Contract terms
• The Doctoral student positions are fully funded from start.
• The position is a fixed-term appointment of four years, with the possibility to teach up to 20%, which extends the position up to five years.
• A starting salary of 35,725 SEK per month (valid from May 1, 2026).
• Doctoral studies require physical presence throughout the entire study period. A valid residence permit must be presented by the study start date; otherwise the admission may be withdrawn.

Benefits

Additional Information

Do you want to use advanced simulation methods to understand and improve the performance of fuel cells? Join Chalmers and contribute to atomistic modelling of catalytic reactions to enhance the stability of proton-exchange membrane fuel cells.

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