Seminars

Abstract: Gas phase metal clusters can act as a model system to investigate the active sites of more complex catalyst materials whose reaction mechanisms are poorly understood. However, real-world catalysts often comprise multiple elements with a mixing ratio optimized for better selectivity and reactivity based on screening.

Abstract: Our climate is warming, and along with it, extreme weather events that can cause large human and economic loss, are on the increase.

Abstract: The growth areas of energy conversion and storage in particular have created a massive demand for new active materials in recent years. In the field of heterogeneous catalysis, transition metal compounds are of particular interest, if only for reasons of sustainability and availability.

Advancements in quantum chemistry computer codes and, more recently, machine learning have significantly evolved the modelling of gas-surface dynamics, enhancing both accuracy and complexity [1]. This progress has primarily focused on comparing simulation results with well-defined molecular beam experiments.

Abstract: Modern engineering systems, such as intelligent transportation systems, smart grids, smart manufacturing systems, etc., often comprise numerous interconnected components with design requirements that are becoming increasingly complex.