Computational Materials Science Group

Computational Materials Science Group

Theory and Simulations of Complex Materials
Computational Materials Science Group
Image: Agnieszka Zymon-Sierka



Our research focuses on the development and application of state-of-the-art quantum chemical and atomistic simulation methods to study the structure, properties, and dynamics of functional molecular and low-dimensional materials.

The Computational Materials Science group 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.

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An Introduction of our Computational Materials Science Group
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Our current research
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All publications of the group
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Teaching and learning content
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Open Positions
Currently open positions


Computational Materials Science Group
Otto Schott Institute of Materials Research
Löbdergraben 32
07743 Jena
+49 3641 9-47791
+49 3641 9-47792
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