Dr. Markus Oppel
Senior Scientist

University of Vienna
Institute of Theoretical Chemistry
Währinger Str. 17
1090 Vienna
Austria

markus.oppel(at)univie.ac.at
+43 1 4277 52752

RID: G-6258-2012
ORCID: 0000-0001-6363-2310

Focus Area
High Performance Computing in Chemistry
Fields of Research: Quantum Dynamics and Laser Control of Chemical Reactions
Short Biography
Study of Chemistry, University of Erlangen, 1989-1995
PhD in Theoretical Chemistry, FU Berlin, 1996-1998
Researcher (tenured), FU Berlin, 1998-2011
Senior Scientist, University of Vienna since 2011

Functions & Memberships
Functions:

  • Safety representative for the Institute of Theoretical Chemistry and the Institute of Computational Biological Chemistry
  • Co-organizer of the Symposium on Theoretical Chemistry 2014

Memberships:

  • GDCh, Gesellschaft Deutscher Chemiker

Publications
Peer Reviewd Publications

  1. Goméz, S., Oppel M.,González L. Discrimination of 1,1-difluoroethylene nuclear spin isomers in the presence of non-adiabatic coupling terms
    Chemical Physics Letters, 683 205 (2017).
  2. Plasser F., Ruckenbauer M., Mai S., Oppel M., Marquetand P., González L.Efficient and Flexible Computation of Many-Electron Wavefunction Overlaps
    Journal of Chemical Theory and Computation, 12 1207 (2016).
  3. Waldl M., Oppel M., González L.
    Controlling the excited state dynamics of nuclear spin isomers using the dynamic Stark effect
    The Journal of Physical Chemistry A 120 4907 (2016).
  4. Obaid, R., Kinzel, D., Oppel, M. and González, L.
    Separating nuclear spin isomers using a pump-dump laser scheme.
    Theoretical Chemistry Accounts 134 46 (2015).
  5. Nogueira, J. J., Oppel, M. and González, L.
    Steigerung der Interkombinationseffizienz in Phenothiazinfarbstoffen durch Einlagerung in DNA.
    Angewandte Chemie 127 4450 (2015).
    Nogueira, J. J., Oppel, M. and González, L.
    Enhancing Intersystem Crossing in Phenotiazinium Dyes by Intercalation into DNA.
    Angewandte Chemie International Edition 54 4375 (2015).
  6. Obaid, R., Kinzel, D., Oppel, M. and González, L.
    Discrimination of nuclear spin isomers exploiting the excited state dynamics of a quinodimethane derivative.
    The Journal of Chemical Physics 141, 164323 (2014).
  7. Belz, S. et al.
    Nuclear Spin Selective Torsional States: Implications of Molecular Symmetry.
    Zeitschrift für Physikalische Chemie 227, 1021 (2013).
  8. May, V., Ambrosek, D., Oppel, M. and Gonzalez, L.
    Theory of ultrafast nonresonant multiphoton transitions in polyatomic molecules: Basics and application to
    optimal control theory.
    Journal of Chemical Physics 127,144102 (2007).
  9. Ambrosek, D., Oppel, M., Gonzalez, L. and May, V.
    Application of optimal control theory to ultrafast nonresonant multiphoton transitions in polyatomic molecules.
    Optics Communications 264, 502 (2006).
  10. Lippert, H. et al.
    Control of breaking strong versus weak bonds of BaFCH3 by femtosecond IR plus VIS laser pulses: theory
    and experiment.
    Physical Chemistry Chemical Physics 6, 4283 (2004).
  11. Elghobashi, N., Krause, P., Manz, J. and Oppel, M.
    IR+UV laser pulse control of momenta directed to specific products: Quantum model simulations for
    HOD*-> H+OD versus HO+D.
    Physical Chemistry Chemical Physics 5, 4806 (2003).
  12. Ambrosek, D., Oppel, M., Gonzalez, L. and May, V.
    Theory of ultrafast non-resonant multi-photon transitions: basics and application to CpMn(CO)(3).
    Chemical Physics Letters 380, 536 (2003).
  13. Hofmann, A., Clark, S., Oppel, M. and Hahndorf, I.
    Hydrogen adsorption on the tetragonal ZrO2(101) surface: a theoretical study of an important
    catalytic reactant.
    Physical Chemistry Chemical Physics 4, 3500 (2002).
  14. Oppel, M. and Paramonov, G.
    Optimal control of rotational motion of dissociation fragments by infrared laser pulses: application to a
    three-dimensional model of HONO2 in the gas phase at temperatures below 1 K.
    Chemical Physics Letters 339, 243 (2001).
  15. Evers, F. et al.
    Absorption and fluorescence excitation spectra of 9-(N-carbazolyl)-anthracene: Effects of intramolecular vibrational
    redistribution and diabatic transitions involving electron transfer.
    Journal of Physical Chemistry A 105, 2911 (2001).
  16. Daniel, C. et al.
    Analysis and control of laser induced fragmentation processes in CpMn(CO)(3).
    Chemical Physics 267, 247 (2001).
  17. Oppel, M. and Paramonov, G.
    Infrared-laser-pulse control of bond- and state-selective excitation, dissociation and space quantization: application
    to a three-dimensional model of HONO2 in the ground electronic state.
    Applied Physics B-Lasers and Optics 71, 319 (2000).
  18. Gunther, P., Oppel, M. and Baumgartel, H.
    Chemical reactions in ionic molecular aggregates. An ab initio and R2PI-study of the halogenbenzene/ammonia system.
    Zeitschrift für Physikalische Chemie 214, 15695 (2000).
  19. Eisenhardt, C., Oppel, M. and Baumgartel, H.
    Excited state photoelectron spectroscopy on molecular aggregates containing aromatic molecules.
    Journal of Electron Spectroscopy and Related Phenomena 108, 141 (2000).
  20. Brackhagen, O., Busse, H., Giraud-Girard, J., Manz, J. and Oppel, M.
    Fluorescence lifetimes of 9-(N-carbazolyl)-anthracene: Effects of intramolecular vibrational redistribution and
    electronic transitions in coupled bright and dark states.
    Journal of Chemical Physics 112, 8819 (2000).
  21. Oppel, M. and Paramonov, G.
    Selective vibronic excitation and bond breaking by picosecond UV and IR laser pulses: application to a two-dimensional
    model of HONO2.
    Chemical Physics Letters 313, 332 (1999).
  22. Oppel, M. and Paramonov, G.
    Picosecond laser control of bond-selective dissociation and clockwise and anticlockwise rotation of the dissociation
    fragments: applications to a three-dimensional model of HONO2 in the ground electronic state.
    Chemical Physics 250, 131 (1999).
  23. Oppel, M. and Paramonov, G.
    Infrared-laser control of vibrational state redistribution during molecular dissociation: The time-dependent flux
    method in model simulations for HONO2 in the excited electronic state.
    Physical Review A 60, 3663 (1999).
  24. Oppel, M. and Paramonov, G.
    Ultrafast laser control of vibrational dynamics for a two-dimensional model of HONO2 in the ground electronic state:
    separation of conformers, control of the bond length, selective preparation of the discrete and the continuum states.
    Chemical Physics 232, 111 (1998).
  25. Manz, J., Oppel, M. and Paramonov, G.
    Quasi-coherent molecular vibrations with energies above the dissociation threshold in the ground electronic state.
    Journal of Physical Chemistry A 102, 4271 (1998).

Non Peer Reviewed Publications

  1. Oppel, M., González, L.
    Moleküle im Gebirge.
    Unterricht Chemie 160, 8 (2017).
  2. Oppel, M., Nogueira, J. J., González, L.
    Mit Theoretischer Chemie photodynamische Wirkstoffe entwickeln.
    Laborpraxis 11, 24 (2015).
  3. Oppel, M.
    50. Symposium für Theoretische Chemie in Wien.
    Bunsenmagazin 1, 26 (2015).
  4. Oppel, M.
    50. Symposium für Theoretische Chemie.
    Nachrichten aus der Chemie 62, 1224 (2014).
  5. Oppel, M. and Gonzalez, L.
    50 Jahre Symposium für Theoretische Chemie und 3000 Jahre Atome, Moleküle und Chemische Bindung.
    Bunsenmagazin 2, 52 (2014).
  6. Oppel, M.
    Review of: Steven A. Edwards, The Nanotech pioneers: Where Are They Taking Us.
    Biospektrum 12, 572 (2006).