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People
Curriculum vitae
Master thesis
Phd thesis
Research interests
Teaching
Publications


Faculty of Chemistry

Faculty of Computer Science

Christian Schröder


Curriculum vitae

1994-1997 University of Giessen
1998 University of Paris
ERASMUS: Bromination of cyclopropylidenes
Advisor: M.-F. Ruasse, A. de Meijere
1997-1999 University of Göttingen
(Max-Planck-Institut für biophysikalische Chemie)
Degree: Diplom-Chemiker (28/10/1999)
Thesis: Photodissociation of iodine in supercritical fluids: quantum yields and recombination constants
Advisor: Prof. J. Troe
1997-2003 University of Göttingen
(Max-Planck-Institut für biophysikalische Chemie)
Degree: Doctor of Philosophy in Chemistry (10/5/2003)
Thesis: Molecular dynamical simulations of the intra- and intermolecular vibrational energy transfer of molecules in liquid phase
Advisor: Prof. J. Troe
2003 University of Göttingen
(Max-Planck-Institut für biophysikalische Chemie)
Post-doc: Vibrational energy transfer of benzylic systems
Advisor: Prof. D. Schwarzer
2004-2006 University of Vienna
Post-doc: Studying the protein-water interface by molecular dynamics simulations
Advisor: Prof. O. Steinhauser
2006- University of Vienna
University Assistent


Research interests



Teaching

  • "Aufbau der Materie" (university of Göttingen 1998-1999) (an introductional class of quantum chemistry)
  • Lab course: "Thermodynamics for physical chemists" (university of Göttingen 1999-2003)
  • current semester
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Publications

  1. Bromination of cyclopropylidenes measured by the azide clock
    C. Schröder, M.-F. Ruasse
    I.T.O.D.Y.S. Paris
  2. Quantum yields for the photodissociation of iodine in compressed liquids and supercritical fluids
    D. Schwarzer, J. Schroeder, C. Schröder
    Zeitschrift für Physikalische Chemie, 215, 2, 183-195 (2001)
  3. Photodissoziation von Jod in überkritischer Phase: Quantenausbeuten und Atomrekombinationsgeschwindigkeitskonstanten
    C. Schröder
    Diploma thesis, university of Göttingen, 1999
  4. Intramolecular vibrational energy redistribution an energy relaxation in solution: A molecular dynamics approach
    G. Käb, C. Schröder, D. Schwarzer
    Phys. Chem. Chem. Phys. 4, 271 (2002)
  5. Molekulardynamische Simulationen zum intra- und intermolekularen Schwingungsenergietransfer von ausgewählten Molekülen
    C. Schröder
    PhD thesis, university of Göttingen, 2003
  6. Intramolecular vibrational energy redistribution in bridged azulene-anthracene compounds: ballistic energy transport through molecular chains
    D. Schwarzer, P. Kutne, C. Schröder, J. Troe
    J. Chem. Phys., 121, 1754 (2004)
  7. Alchemical free energy calculations and multiple conformational substates
    M. Leitgeb, C. Schröder, S. Boresch
    J. Chem. Phys., 122, 084109 (2005)
  8. Simulation Studies of the Protein-Water Interface I: Properties at the Molecular Resolution
    C. Schröder, T. Rudas, S. Boresch and O. Steinhauser
    J. Chem. Phys., 124, 234907 (2006)
  9. Simulation Studies of the Protein-Water Interface II: Properties at the Mesoscopic Resolution
    T. Rudas, C. Schröder, S. Boresch and O. Steinhauser
    J. Chem. Phys., 124, 234908 (2006)
  10. Simulation Studies of Ionic Liquids: Orientational Correlations and Static Dielectric Properties
    C. Schröder, T. Rudas and O. Steinhauser
    J. Chem. Phys., 125, 244506 (2006)
  11. Collective Rotational Dynamics in Ionic Liquids: A Computational and Experimental Study of 1-Butyl-3-methyl-imidazolium Tetrafluoroborate
    C. Schröder, C. Wakai, H. Weingärtner and O. Steinhauser
    J. Chem. Phys. 126,084511 (2007)
  12. The impact of anisotropy on the structure and dynamics of ionic liquids: A computational study of 1-butyl-3-methyl-imidazolium trifluoroacetate
    C. Schröder, T. Rudas, G. Neumayr, W. Gansterer and O. Steinhauser
    J. Chem. Phys. 127,044505 (2007)
  13. On the collective network of ionic liquid/water mixtures: I. Orientational structure
    C. Schröder, T. Rudas, G. Neumayr, S. Benkner and O. Steinhauser
    J. Chem. Phys. 127,234503 (2007)
  14. On the computation and contribution of conductivity in molecular ionic liquids
    C. Schröder, M. Haberler and O. Steinhauser
    J. Chem. Phys. 128,134501 (2008)
  15. The influence of electrostatic forces on the structure and dynamics of molecular ionic liquids
    C. Schröder, O. Steinhauser
    J. Chem. Phys. 128,224503 (2008)
  16. On the collective network of ionic liquid/water mixtures: II. Decomposition and interpretation of dielectric spectra
    C. Schröder, J. Hunger, A. Stoppa, R. Buchner and O. Steinhauser
    J. Chem. Phys. 129, 184501 (2008)
  17. Grid Services for Parallel Molecular Dynamics with NAMD and CHARMM
    S. Benkner, C. Schröder, M. Lucka and O. Steinhauser
    Proceedings of the Computational Science and Its Applications, 1036 (2008)
  18. On the collective network of ionic liquid/water mixtues: III. Structural analysis of the ionic liquids on the basis of Voronoi decomposition
    C. Schröder, G. Neumayr and O. Steinhauser
    J. Chem. Phys. 130, 194503 (2009)
  19. On the dielectric conductivity of molecular ionic liquids
    C. Schröder and O. Steinhauser
    J. Chem. Phys. 131, 114504 (2009)
  20. Molecular dynamics simulation of heat conduction through a molecular chain
    C. SchröMder and Vyacheslav Vikhrenko and Dirk Schwarzer
    in press in J. Phys. Chem. A
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Imprint: (as stipulated by austrian law, MedienG 2005): O. Steinhauser / S. Boresch, Institut für Computergestützte Biologische Chemie, Währinger Strasse 17, 1090 Wien, Austria