Wilhelm Ostwald Institute for
Physical and Theoretical Chemistry
University of Leipzig

Chair of theoretical chemistry
Prof. Dr. B. Kirchner



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Conferences / Talks


2012


5. 8. - 10. 8. 2012
The Celtic Manor Resort, The Usk Valley, Newport, Great Britain
Ionic liquids in touch. A theoretical study
EUCHEM 2012
http://www.euchem2012.org

25. 6. - 30. 6. 2012
Macky Auditorium, Boulder, United States of America
Electronic structure and liquid state
The XIVth International Congress of Quantum Chemistry
http://www.colorado.edu/chemistry/icqc2012/index.html

25. 4. 2012
University of Rostock, Rostock, Germany
What can Clusters Tell Us About the Bulk: From Quantum Chemistry to Thermodynamic Quantities
Bunsenkolloquium zur Verabschiedung von Prof. Dr. A. Heintz


2011


8. 12. 2011
University of Münster, Münster, Germany
Quantum chemistry in the liquid phase: Large systems versus expensive calculations?
The Integrated Research Training Group "Principles and Applications of Cooperative Effects"

5. 12. 2011
University Regensburg, Regensburg, Germany
Ionische Flüssigkeiten: Faszinierende Substanzen voller Fragen und Antworten!
GDCh-Kolloquium
Abstract

28. 11. - 30. 11. 2011
Hotel Pyramide, Fürth, Germany
Ionic Liquids from Theoretical Calculations
SPP1191 Ionic Liquids: Annual scientific colloquium 2011

3. 10. - 7. 10. 2011
Volga Cliff Resort, Samara, Russia
Multiple structural and dynamical behaviour of ionic liquids: A microscopic view
XVIII Russian Conference on Chemical Thermodynamics

5. 9. - 9. 9. 2011
Barcelona Science Park (PCB http://www.pcb.ub.es), Barcelona, Spain
Ionic liquids from AIMD
CPMD2011 conference "Extending the limits of ab-initio Molecular Dynamics Simulations for Materials Science and Biophysics",

14. 7. 2011
University of Ulm. Faculty of Natural Sciences, Ulm, Germany
Do ionic liquids provide the alkahest of the 21. century? A microscopic view.
Symposiumvortrag zur Verleihung der Ehrendoktorwürde an Frau Prof. Sigrid Peyerimhoff

15. 6. - 18. 6. 2011
Crystal City Hilton, Arlington, Washington DC, United States of America
Multiple structural and dynamical behaviour of ionic liquids: A microscopic view
4th Congress on Ionic Liquids (COIL-4)
http://www.coil-4.org/

27. 4. 2011
University of Duisburg-Essen, Essen, Germany
Intermolecular forces, dynamics, structure and interaction with other chemicals from theory
Gastvortrag
Abstract

30. 3. - 1. 4. 2011
Seminaris SeeHotel Potsdam, Potsdam, Germany

SPP1191 meeting 2011

17. 2. - 19. 2. 2011
Catholic University Leuven, Leuven, Belgium
Ionic liquids from theoretical considerations

7. 2. - 11. 2. 2011
ETH Zurich, Zurich, Switzerland

2nd CP2K Tutorial


2010


25. 9. 2010
Catholic University Leuven, Leuven, Belgium
Ionic liquids from theoretical considerations
Leuven Summer School on Ionic Liquids

8. 7. 2010
TU Chemnitz, Chemnitz, Germany
Quantenchemie in der flüssigen Phase: Von großen Systemen und teuren Rechenmethoden
GDCh Colloquium

30. 6. 2010
Institute of Physics and Physical Technologies, Clausthal, Germany
Ionische Flüssigkeiten: Faszinierende Flüssigkeiten voller Widersprüche

11. 5. 2010
Physical organic Chemistry, TU Dresden, Dresden, Germany
Ionische Flüssigkeiten: Faszinierende Flüssigkeiten voller Widersprüche


2009


16. 11. 2009
Paris, France
Hydrogen bonds absent and present in and at ionic liquids
Horizons in hydrogen bonding

27. 9. - 30. 9. 2009
Grassi Museum, Leipzig, Germany
Ionic liquids from theoretical considerations
International Bunsen Discussion Meeting

24. 9. - 25. 9. 2009
University of Leipzig, Leipzig, Germany
Short scale dynamics in Emim-SCN
Dynamik-Workshop

30. 5. - 4. 6. 2009
Cairns, Australia
Ionic liquids from theoretical considerations
Pre-COIL-3

7. 5. 2009
ETH, University of Zürich, IBM Research, Zurich, Switzerland
Ionic liquids from theoretical considerations
C4-Seminar

23. 4. 2009
Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic
Ionic liquids from theoretical considerations
Seminar

4. 3. - 6. 3. 2009
Bamberg, Germany
Molekulare und ionische Flüssigkeiten aus der Sicht der Theoretischen Chemie
SPP 1191 Meeting 2009

6. 2. 2009
Laboratory of Engineering Thermodynamics, Department of Mechanical and Process Engineering, University of Kaiserslautern, Kaiserslautern, Germany
Molekulare und ionische Flüssigkeiten aus der Sicht der Theoretischen Chemie
Seminar

14. 1. 2009
Berlin, Germany
Molecular and Ionic liquids from theoretical considerations
Graduiertenkolleg der FU Berlin


2008


31. 10. - 8. 11. 2008
Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, China
Ionic liquids from theoretical considerations
German-Sino seminar on ionic liquids

17. 10. 2008
Leipzig, Germany
Smarte Moleküle aus der Theorie
BuildMona Graduiertenschule Seminar

30. 9. - 1. 10. 2008
Bamberg, Germany
Dynamics and intermolecular forces in ionic liquids from theoretical considerations
SPP-1191 Zwischenkolloquium

24. 9. 2008
Ramsau am Dachstein, Austria
Solvents and Solvent effects. Opinion and facts.
STC 2008

18. 5. - 20. 5. 2008
Bamberg, Germany
Intermolecular forces, dynamics, structure and interaction with other chemicals from theory
SPP-1191 Zwischenkolloquium

31. 3. 2008
Nha Trang, Vietnam
Why are ionic liquids liquid and not solid? A theoretical study on intermolecular forces and bulk behavior.
The 11th Vietnamese-German Seminar on Physics and Engineering (VGS11)

26. 3. - 27. 3. 2008
Stuttgart, Germany
Berechnungen von komplexen Systemen aus der Chemie
HLRS-meeting

4. 3. 2008
Villigen, Switzerland
Intermolecular forces and dynamics in ionic liquids
Institutskolloquium

14. 2. 2008
Erlangen, Germany
Ionic liquids from theoretical considerations
Institutskolloquium


2007


26. 11. 2007
Leipzig, Germany
Mit dem Supercomputer Geheimnisse der Chemie erkunden
Einweihungsveranstaltung des Parallelrechnersystems ``HP-Superdome''

17. 11. 2007
Bertsdorf-Hörnitz, Germany
Chemie am Computer
Erstsemesterfahrt der Fachschaft Leipzig

9. 11. 2007
Potsdam, Germany
Zum Verständnis von ionischen Flüssigkeiten mittels theoretischer Methoden
Eröffnungsveranstaltung der Graduiertenschule der Universität Potsdam

17. 9. 2007
Ulm, Germany
Ionic liquids in motion
GDCH Wissenschaftsforum Chemie 2007

10. 9. 2007
Nuremberg, Germany
Ionic liquids in motion
EUROMAT 2007

31. 5. 2007
Bamberg, Germany
Dynamics and intermolecular forces in ionic liquids from theoretical considerations
SPP-1191 Zwischenkolloquium

31. 5. 2007
Bamberg, Germany
Theoretical investigation of intermolecular forces in ionic liquids: Dynamics and structure
SPP-1191 Workshop

23. 3. 2007
Chair for BioMolecular Optics at the University of Munich, Munich, Germany
Towards the understanding of complicated liquids
SFB-533 Seminar


2006


14. 7. 2006
Max Planck Institute for Chemical Physics, Dresden, Germany
Cooperativity in complicated liquids
Seminar

31. 5. 2006
University of Bonn, Bonn, Germany
Chemie am Computer
Antrittsvorlesung im Rahmen der Habilitation

17. 5. - 19. 5. 2006
Theory of ionic liquids
Antragskolloquium "Ionische Flüssigkeiten'' SPP 1191

8. 5. 2006
University of Karlsruhe, Karlsruhe, Germany
Kooperativität und komplizierte Systeme
Kolloquium der Physikalischen Chemie

4. 5. 2006
University of Leipzig, Leipzig, Germany
Kooperativität und komplizierte Systeme
Vorstellungsvortrag W3-Professur in Theoretischer Chemie

19. 4. 2006
University of Bonn, Bonn, Germany
Elektronendichte als Schlüssel zur chemischen Reaktivität
Wissenschaftliches Kolloquium im Rahmen der Habilitation

17. 2. 2006
Jena, Germany
Chemie in kondensierter Phase: Von der Quantenchemie zur Molekulardynamik
Vorstellungsvortrag W2/W3-Professur für Phys. Chemie (Theorie)


2005


19. 12. 2005
Understanding the microscopic behavior of neoteric solvents - From simple tools to complex methods.
Pacifichem Hawaii/USA 15.12.2005-22.12.2005

5. 12. 2005
Theoretische Ansätze für komplizierte Flüssigkeiten und Lösungsmitteleffekte
Organische Chemie Seminar der Universität Würzburg

5. 10. 2005
Theoretical approaches for liquids, solvents and solvent effects
XVI. Krakow-Jena-Symposium on Physical Chemistry 4.10.2005-7.10.2005

5. 9. 2005
Pisa, Italy
Reliability of DFT in simulations of liquid water
IUPAC-conference on hydrogen bonds

2. 9. 2005
Theory of complicated liquids
Job interview assistent professorship (tenure track) Bremen

5. 6. 2005
Untersuchung der Lösungsmitteleffekte von Molekülen durch Elektronemstrukturanalyse in unkonventionellen Simulationsmethoden
Habilitationsvorstellungsvortrag

22. 4. 2005
Institute for Physical Chemistry, Bonn, Germany
Einführung in die Car-Parrinello Simulation.
Surface Science Seminar

4. 3. 2005
Solvents in chemistry: Statical and dynamical view of liquids, neoteric solvents, and novel compounds.
Job interview for Rosalind Franklin fellowship Groningen

10. 2. 2005
University of Rostock, Rostock, Germany
DMSO/Water mixtures. From cluster calculations to simulations.
Physical Chemistry Seminar


2004


9. 12. 2004
University of Dresden, Dresden, Germany
Neoteric solvents and solvent properties. From cluster calculations to simulations.
Theoretical Chemistry Seminar

9. 6. 2004
Car-Parrinello Simulations of the DMSO/water mixtures
Seminar of the Polymer Spectroscopy group / MPI for Polymer Research

19. 4. 2004
Understanding the structure of AlCl3 and derived ionic liquids from Car-Parrinello simulations.
CERC3 Young Chemists' workshop on "Neoteric solvents as reaction media: reality and future"


2003


9. 10. 2003
Fall meeting of the Swiss Chemical Society, A C2v-symmetrical Barbaralane
(Awarded as Best Oral Presentation in Computational Chemistry)

24. 4. 2003
University or Zurich, Zurich, Switzerland
Quantum chemical Calculations of Small Clusters and Molecules
Physical Chemistry Seminar

17. 3. 2003
Chemnitz, Germany
Erklären schwache C-H...O-Wechselwirkungen das ungewöhnliche Verhalten der DMSO-Wasser Mischung? Neue Ergebnisse durch theoretische Betrachtungen.
Chemiedozententagung 2003 (16.-19.03.2003)

13. 3. 2003
Ascona, Switzerland
Structure of DMSO/water mixtures
CPMD 2003 conference (13-16 march 2003)

28. 1. 2003
University of Erlangen, Erlangen, Germany
Zum Verständnis des anomalen Verhaltens der DMSO/Wasser-Mischung
Theoretical Chemistry Seminar


2001


9. 10. 2001
Hydrophobic solvation in liquid water via Car-Parrinello molecular dynamics
HLRS Events- 4th Results and Review Workshop


2000


8. 2. 2000
Eisbergeffekt der Quadrupol-Kopplungskonstante und Solvatation von Radikalen: Zwei unterschiedliche Simulationsstudien in Wasser-Gemischen.
Theoretical Chemistry seminar University Erlangen


1999


12. 10. 1999
Disproving the iceberg effect? The deuterium quadrupole coupling constant of water in DMSO
Fall meeting of the Swiss Chemical Society


1998


22. 4. 1998
Ab inito Simulation of Bulk properties and NMR T1 Relaxation Times of Neon.
Physical Chemistry seminar University of Queensland

20. 2. 1998
Mariapfarr, Austria
NMR-Spin-Gitter-Relaxation und Zeitkorrelationsfunktionen von
Arbeitstagung Theoretische Chemie


1997


15. 10. 1997
A systematic study to explore chemical accuracy in MD simulations
Fall meeting of the Swiss Chemical Society

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