These Ph.D. projects belong to the area of materials chemistry, with focus on computer simulations of functional materials of technological or environmental importance. Our research aims to give a deeper understanding of molecular processes and reactions on the surfaces of materials and nanoparticles or at the interface between these and water, as water is often present in realistic processes.
Nanoparticles of metal oxides are used in a range of different contexts - from everyday life, as paint additives, to more advanced applications such as solar cells, heterogeneous catalysis or medicine. They have great potential for the future, but some obstacles need to be overcome first: for example today one knows very little about how, and why, the chemistry of the nanoparticles varies with their sizes and shapes.
In our research group, the focus lies on solving chemically interesting problems but we are also interested in improving the computational methods we use. The exact contents of the Ph.D. projects will be designed jointly between the Ph.D. student and the supervisors. The studies will be carried out in a lively research environment with senior and more junior researchers with broad competences within materials chemistry, inorganic chemistry and computational chemistry.
Four Ph.D. students in Computer simulations in Materials chemistry
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Burse
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2013-04-16, 00:00
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2025-09-29, 17:01
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Maria Dumitru
