Welcome to the Computational Materials Science Group!
The research group of Professor Sierka is a part of the Otto Schott Institute of Materials Research (OSIM) at the Faculty of Physics and Astronomy of the Friedrich-Schiller-Universität Jena.
Modeling and Simulations of Complex Materials
The research activities of our group focus on the development and applications of cutting-edge simulation approaches for investigating structure, properties and reactivity of low-dimensional and complex materials – nanoparticles, thin films, surfaces, interfaces and solids. Many chemical and physical properties of these systems arise from processes and features at multiple scales, both spatial and temporal. Therefore, our work involves methods and models from different levels of theory: quantum mechanics, interatomic potential functions, molecular mechanics and dynamics as well as statistical thermodynamics.
The hallmark of our research programme is a close collaboration with experimental groups working in various disciplines of chemistry, physics and materials science.