Computational Electronic Structure Theory (CEST)


Group leader

Professor Patrick Rinke

The Computational Electronic Structure Theory Group is developing electronic structure and machine learning methods and applies them to pertinent problems in material science, surface science, physics, chemistry and the nano sciences. The electronic structure gives us an atomistic view on matter that is important for many applications. Examples are materials for clean energy production, light-emitting devices (LEDs) or information and communication technologies (ICT). Perturbing the electronic structure, as done in spectroscopy, reveals more information about matter. We develop and use theoretical spectroscopy methods to probe the properties of molecules, molecules on surfaces, nanostructures, as well as semiconductors and their surfaces. We also investigate data as new resource in materials science. We participate in the development of a large scale materials database and study the potential of database driven materials science.

Follow us on Twitter: @CESTgroup
Follow us on Facebook: CESTgroup

For more information, see the Publications list. To learn more about the CEST group, see Members.

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Prof. Patrick Rinke
+358 50 4433199
firstname.lastname (at)

Postal address:
Department of Applied Physics
Aalto University School of Science
P.O. Box 11100, 00076 Aalto, Finland

Visiting address:
Otakaari 1 
Y408 main building (4th floor)


Page content by: communications-phys [at] aalto [dot] fi (Department of Physics) | Last updated: 18.06.2018.