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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
2017 Structure and electronic states of a graphene double vacancy with an embedded Si dopant Nieman, Reed; Aquino, Adelia J. A.; Hardcastle, Trevor P.; et al. Journal of Chemical Physics 147
2016 Insight into the Excited State Electronic and Structural Properties of the Organic Photovoltaic Donor Polymer Poly(thieno[3,4-b]thiophene benzodithiophene) by Means of ab Initio and Density Functional Theory Borges, Itamar, Jr.; Uhl, Elmar; Modesto-Costa, Lucas; et al. Journal of Physical Chemistry C 120
2016 Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table Aquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K.; et al. Journal of Computational Chemistry 37
2016 New Insights into the State Trapping of UV-Excited Thymine Stojanovic, Ljiljana; Bai, Shuming; Nagesh, Jayashree; et al. Molecules 21
2016 New Insights into the State Trapping of UV-Excited Thymine. Stojanovic, Ljiljana; Bai, Shuming; Nagesh, Jayashree; et al. Molecules (Basel, Switzerland) 21
2016 pi-pi stacking between polyaromatic hydrocarbon sheets beyond dispersion interactions Silva, Nadeesha J.; Machado, Francisco B. C.; Lischka, Hans; et al. Physical Chemistry Chemical Physics 18
2016 Polyradical Character of Triangular Non-Kekule Structures, Zethrenes, p-Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study Das, Anita; Mueller, Thomas; Plasser, Felix; et al. Journal of Physical Chemistry a 120
2016 The Antiferromagnetic Spin Coupling in Non-Kekule Acenes-Impressive Polyradical Character Revealed by High-Level Multireference Methods Vazdar, Mario; Eckert-Maksic, Mirjana; Lischka, Hans Chemphyschem 17
2015 A comparison of neutral and charged species of one- and two-dimensional models of graphene nanoribbons using multireference theory Horn, Shawn; Lischka, Hans Journal of Chemical Physics 142
2015 Absorption and Fluorescence Spectra of Poly(p-phenylenevinylene) (PPV) Oligomers: An ab Initio Simulation Cardozo, Thiago M.; Aquino, Adelia J. A.; Barbatti, Mario; et al. Journal of Physical Chemistry a 119