This image shows Johannes Kästner

Prof. Dr.

Johannes Kästner

Vice head of the Institute, Group Leader
Institute for Theoretical Chemistry

Contact

+49 711 685 64473
+49 711 685 64442

Pfaffenwaldring 55
70569 Stuttgart
Deutschland
Room: 1.837

Scientific Career

since 2014 Professor for Computational Chemistry (W3), Universität Stuttgart, Institute for Theoretical Chemistry and Stuttgart Research Centre for Simulation Technology and Cluster of Excellence "Simulation Technology" (SimTech)
2008–2014 Juniorprofessor, Applied Quantum Mechanics, Universität Stuttgart, Institute of Theoretical Chemistry and Stuttgart Research Centre for Simulation Technology and Cluster of Excellence "Simulation Technology" (SimTech), Tenure-track
2006–2008 Research staff in the Scientific Computing Department of the STFC (previously: CCLRC) at Daresbury Laboratory, UK
2004–2006 Postdoctoral researcher with Walter Thiel, Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, Germany
2001–2004 Scientific coworker (doctoral student) with Peter E. Blöchl, Clausthal University of Technology, Germany

Education

2014 Habilitation in Theoretical Chemistry
2004 Dr. rer. nat. (summa cum laude) in theoretical physics with Peter E. Blöchl, Clausthal University of Technology, Institute of Theoretical Physics
2001 Master's degree in chemistry with K.-H. Schwarz, Vienna University of Technology, Institute of Physical and Theoretical Chemistry (now Institute of Materials Chemistry)
1996–2001 Studies of Chemistry ("technische Chemie"), Vienna University of Technology. 1997–2001 additionally studies of physics

Prizes and Awards

2015 OYGA Award of the The Lise Meitner-Minerva Center for Computational Quantum Chemistry, Israel
2012 Hans G.A. Hellmann prize of the German Arbeitsgemeinschaft für Theoretische Chemie

 

[19] “Quantum Chemical Simulations for Astrochemistry” Jan Meisner in “Proceedings of the 3rd bwHPC-Symposium” Sabine Richling, Martin Baumann, Vincent Heuveline (Eds.) (2017)

[18] “Free Energy Calculation Methods and Rare Event Sampling Techniques for Biomolecular Simulations” Jens Smiatek, Niels Hansen and Johannes Kästner in “Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis” Inaki Tunon, Vicent Moliner (Eds.) (2016)

[17] “Preisgekrönt: Forscher mit Tunnelblick” Stuttgarter Zeitung (2015)

[16] Press release “Prof. Johannes Kästner erhält ERC Consolidator Grant des Europäischen Forschungsrats - Zwei Millionen Euro für Untersuchung des quantenmechanischen Tunneleffekts” Hochschulkommunikation, University of Stuttgart (2015)

[15] “Der Tunneleffekt in der Chemie” Johannes Kästner, Themenheft Forschung der Universität Stuttgart, 10 (2014)

[14] “A Tale of 7 Elements” by Eric Scerri, book review by Andrea Kästner, Johannes Kästner, Angew. Chem., Int. Ed. 53, 2538 (2014); German version: Angew. Chem. 126, 2572 (2014)

[13] “Der Tunneleffekt in chemischen Reaktionen” Johannes Kästner Bunsenmagazin p. 15 1/2014.

[12] “Tunneleffekt und Katalyse” Radio interview in Deuschlandfunk of Johannes Kästner by Hellmuth Nordwig 2013.

[11] “Durch Abkürzung schneller zum Ziel: Simulation des Tunneleffekts für große Moleküle” Johannes Kästner. Mediendienst Forschung, University of Stuttgart, 2011. (pdf)

[10] “QM/MM: Die Kombination aus Quantenmechanik und empirischen Kraftfeldern” Johannes Kästner. Trendbericht in the Nachrichten aus der Chemie, 2011.

[9] “Excited State and Parallel Geometry Optimisation with DL-FIND” Thomas W. Keal, Joanne M. Carr, Adrian Wander, Paul Sherwood, Johannes Kästner. Chapter in “Frontiers 2009” – CSE Department's annual report for 2009.

[8] “Complex energy landscapes revealed: The phosphorylation reaction in protein kinase A” M. Montenegro, M. Garcia-Viloca, À. González-Lafont, J.M. Lluch, J. Kästner, J.M.H. Thomas, H.J.J. van Dam, and P. Sherwood. Chapter in “Frontiers 2008” – CSE Department's annual report for 2008.

[7] “Larger and longer: atomistic and coarse-grained simulations of the Epidermal Growth Factor Receptor” Hannes H. Loeffler, Johannes Kästner and Martyn D. Winn. Chapter in “Frontiers 2008” – CSE Department's annual report for 2008.

[6] “Finding Minima, Transition States, and Conical Intersections: the Development of a Geometry Optimiser for Atomistic Simulation Codes” Johannes Kästner and Paul Sherwood. Chapter in “Frontiers 2007” – CSE Department's annual report for 2007.

[5] “CSED Software to Leap Ahead” Adrian Wander, Paul Sherwood, William Smith, Coralia Cartis, Johannes Kästner, et al. Chapter in “Frontiers 2007” – CSE Department's annual report for 2007.

[4] “New Tools for the Accurate Study of Biomolecular Reactivity” Johannes Kästner, Paul Sherwood, Hans Martin Senn, Stephan Thiel, Nikolaj Otte, Walter Thiel. Chapter in “Frontiers 2006” – CSE Department's annual report for 2006.

[3] Book chapter “Electronic structure methods: Augmented Waves, Pseudopotentials and the Projector Augmented Wave method” Peter E. Blöchl, Johannes Kästner, Clemens J. Först, in “Handbook of Materials Modeling, Volume I (Methods and Models)” S. Yip Ed., Springer, ISBN: 1-4020-3287-0, May 2005.

[2] Ph.D. thesis “Biological Nitrogen Fixation – Simulation of the Reaction Mechanism of Nitrogenase from First Principles” Johannes Kästner, Clausthal University of Technology (2004) pdf (6.7MB).

[1] Master thesis (diploma thesis) “Linkage Isomers of Transition Metal Nitrosyl Complexes studied by ab-initio Molecular Dynamics” Johannes Schimpl, Vienna University of Technology (2001).

  1. Kinderuni Weil der Stadt, Germany: Wie man die Bausteine der Welt am Computer sichtbar machen kann, November 28, 2019 
  2. Tag der Wissenschaft, Stuttgart, Germany: Computer als Mikroskop? Eine Livereportage aus dem Reagenzglas., June 20, 2015
  3. AK Astronomie, Stuttgart, Germany. Astrochemie – Moleküle zwischen Sternen, June 10, 2015
  4. Tunneleffekt und Katalyse” Radio interview in Deuschlandfunk of Johannes Kästner by Hellmuth Nordwig 2013.
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