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Hans Lischka——Professor

Room B609, Building 24, Tianjin University
School of Pharmaceutical Science and Technology
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Education Experience
1969 Ph. D. University of Vienna, Austria
1972 Postdoctoral University of Karlsruhe, Germany
Professional Experience
1976-1976 Associate Professor University of Vienna
1976-1980 Associate Professor University of Vienna
1980-2008 Professor University of Vienna
2008-2010 Visiting Professor Czech Academy of Sciences
2011-2015 Research Professor Texas Tech University
2015-2016 Professor Tianjin University
Research Area

The research in the group of Lischka involves investigation of defect structures in materials with current applications to: grapheme nanoribbons, excitonic coupling and charge transfer in p-conjugated polymers as applied to photovoltaics, photostability of DNA; development of high-level quantum hemical methods and computer codes in the framework of COLUMBUS; full parallelization of MRCI method including analytic energyg radients and nonadiabatic couplings; onthe-fly nonadiabatic photodynamics (programsystemNEWTON-X) with application to biological systems including QM/MM approach.



Honors and Awards
1971 Award Prize from the Theodor-Körner Foundation
1980 Sandoz Prize for Chemistry
1980 Max Kade fellowship of the Austrian Academy of Sciences for Visiting Professor at the Ohio State University
2003 International Symposium on “Recent Developments in Computational Chemistry – Can Theory Answer Questions in Applied Natural Sciences?” In honor of 60th birthday of Hans Lischka, Vienna, June 17, 2003
2008 Special Issue Chemical Physics in honor of 65th birthday of Hans Lischka
2008 International Symposium on “Electron Correlation and Molecular Dynamics for Excited States and Photochemistry”, International Symposium in honor of Hans Lischka’s 65th birthday, July 4, 2008
2008 1st place in the “Competition for a Full Professor position in Theoretical Chemistry”, Federal University of ABC, Sao Paulo, Brazil
2014-16 Visiting Professor and host in the framework of the Brazilian Scientific Mobility Program at the Military Institute of Engineering (IME), Rio de Janeiro, Brazil
Highlighted Publications
Machado, F. B. C.; Aquino, A. J. A.; Lischka, H. The diverse manifold of electronic states generated by a single carbon defect in a graphene sheet: multireference calculations using a pyrene defect model. Chem. Phys. Chem. 2014, 15, 3334.
Plasser, F.; Pašalić, H.; Gerzabek, M. H.; Libisch, F.; Reiter, R.; Burgdörfer, J.; Müller, Th.; Shepard, R.; Lischka, H. The multiradical character of one- and two-dimensional graphene nanoribbons. Angew. Chem., Int. Ed. 2013, 52, 2581.
Szalay, P. G.; Müller, Th.; Gidofalvi, G.; Lischka, H.; Shepard. R. Multiconfiguration self-consistent field and multireference configuration interaction methods and applications. Chem. Rev. 2012, 112, 108.
Plasser, F.; Lischka, H. Semi-classical dynamics simulations of charge transport in stacked ‐systems. J. Chem. Phys. 2011, 134, 034309.
Barbatti, M.; Aquino, A. J. A.; Szymczak, J. J.; Nachtigallová, D.; Hobza, P.; Lischka, H. On the relaxation mechanisms of UV-­‐photoexcited DNA and RNA nucleobases. Proc. Nat. Acad. Sci. USA 2010, 107, 21453.
ResearcherID Publications
Year Title Author(s) Source Volume
2014 Direct Dynamics Simulation of the Activation and Dissociation of 1,5-Dinitrobiuret (HDNB) Sun, Rui; Siebert, Matthew R.; Xu, Lai; et al. Journal of Physical Chemistry a 118
2014 Double Pancake Bonds: Pushing the Limits of Strong pi-pi Stacking Interactions Cui, Zhong-hua; Lischka, Hans; Beneberu, Habtamu Z.; et al. Journal of the American Chemical Society 136
2014 Intermolecular interactions and charge transfer transitions in aromatic hydrocarbon-tetracyanoethylene complexes Aquino, Adelia J. A.; Borges, Itamar, Jr.; Nieman, Reed; et al. Physical Chemistry Chemical Physics 16
2014 Molecular Models of Cation and Water Molecule Bridges in Humic Substances Tunega, Daniel; Aquino, Adelia J. A.; Haberhauer, Georg; et al. Soil Carbon
2014 Newton-X: a surface-hopping program for nonadiabatic molecular dynamics Barbatti, Mario; Ruckenbauer, Matthias; Plasser, Felix; et al. Wiley Interdisciplinary Reviews-Computational Molecular Science 4
2014 Nonadiabatic dynamics study of methaniminium with ORMAS: Challenges of incomplete active spaces in dynamics simulations West, Aaron C.; Barbatti, Mario; Lischka, Hans; et al. Computational and Theoretical Chemistry 1040
2014 Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods Mai, Sebastian; Mueller, Thomas; Plasser, Felix; et al. Journal of Chemical Physics 141
2014 Proton transfer processes in polar regions of humic substances initiated by aqueous aluminum cation bridges: A computational study Aquino, Adelia J. A.; Tunega, Daniel; Schaumann, Gabriele E.; et al. Geoderma 213
2014 Radical sites in humic acids: A theoretical study on protocatechuic and gallic acids Solc, Roland; Gerzabek, Martin H.; Lischka, Hans; et al. Computational and Theoretical Chemistry 1032
2014 Rotational Barrier in Phenalenyl Neutral Radical Dimer: Separating Pancake and van der Waals Interactions Cui, Zhong-hua; Lischka, Hans; Beneberu, Habtamu Z.; et al. Journal of the American Chemical Society 136