WHAT YOU CAN EXPECTJoin our enthusiastic global team of experts in the Quantum Chemistry research group at BASF SE. You will have a unique opportunity to stay at the forefront of cutting-edge technology development and application to industrially relevant research problems focussing novel catalyst developments. Your work will focus on developing predictive methodology for bridging high-throughput simulation and experiments dealing with complex inorganic materials development.You will establish strategic directions for data-driven catalysis research, including the integration of synthetic or simulated data with experimental data and the application of explainable AI methods.Furthermore, you will develop machine-learned force fields for complex materials relevant to heterogeneous catalysis problems.The development of the protocols and infrastructure for systematic data generation to support machine learning solutions are part of your tasks as well.You will collaborate with a diverse team of chemists, researchers, and data scientists to provide state-of-the-art ideas and solutions.Last, but not least you will contribute to challenging projects that aim to make inventive contributions to the field of quantum chemistry.WHAT YOU OFFERstrong expertise in the development or application of machine-learned force fields and/or other machine learning techniques for materials design applicationsa recent PhD in electronic structure methods and atomic-scale simulations for solid-state materialshigh proficiency in Python code development and hands-on experience with data science workflowsexpertise in theoretical catalysis research including multiscale modelling approaches is highly desiredexcellent English and communication skillsWHAT WE OFFERTeambuddy - contact person for all questions and regular feedbackNetworks - get to know different perspectives, ways of thinking and fields of workFlexible working hours - depending on the location and area of work