Group members
Dr. Christian Mück-Lichtenfeld
Dr. Christian
Mück-Lichtenfeld Room 4.11
Phone: 33301
cml
at
uni-muenster.de
Akademischer Oberrat
Organic Reactivity
Weak Intermolecular Forces
Carola Loke
Carola Loke Room 4.01
Phone: 33241
carola.loke
at
uni-muenster.de

Secretary
Blaq
Guido Blanqué Room 4.22
Phone: 33298
Fax: 36560
guido.blanque
at
uni-muenster.de

Systemadministrator
Antony
Dr. Jens Antony Room 4.08
Phone: 33289
jens.antony
at
uni-muenster.de
Weak intermolecular forces
New methods for large
molecules


Stephan Ehrlich
Stephan Ehrlich Room 4.08
Phone: 33289
stephan.ehrlich
at
uni-muenster.de
Development of new DFT benchmarking methods
Lars Goerigk
Dr. Lars Goerigk Room 04.Z1
Phone: 33268
lars.goerigk
at
uni-muenster.de
Calculation of electronic
excited states and chiroptical
properties
Development of new DFT
methods
Development of van der Waals
density functionals
Helge Krieg
Helge Krieg Room 4.03
Phone: 33262
hkrieg
at
uni-muenster.de
Calculation of
van der Waals complexes
Holger Kruse
Holger Kruse Room 04.Z1
Phone: 33268
holger.kruse
at
uni-muenster.de
Investigation of Inclusion
and Cage Compounds
General-Purpose computation
on Graphics Processing Units
(GPGPU)
Wenliang Li
Wenliang Li Room 4.08
Phone: 33289
wenliang
at
uni-muenster.de
Modeling the adsorption of gases in organic zeolites

Jonas Möllmann
Jonas Möllmann Room 4.03
Phone: 33262
j_moel03
at
uni-muenster.de
Quantum chemistry with
periodic boundary conditions
Chemistry on surfaces
Risthaus
Tobias Risthaus Room 4.03
Phone: 33262
t_rist01
at
uni-muenster.de



Birgitta Schirmer
Birgitta Schirmer Room 01.Z1
Phone: 36570
b.schirmer
at
uni-muenster.de
Frustrated Lewis Pairs
Implementation and application
of range-separated density
functionals
Marc Steinmetz
Marc Steinmetz Room 01.Z1
Phone: 36570
marc.steinmetz
at
uni-muenster.de
Calculations of organo-metallic reactions


Dr. Mark Waller
Dr. Mark Waller Room 2.08
Phone: 36514
m.waller
at
uni-muenster.de
Multiscale Modelling
of Complex Molecular Systems


Nina Rathaj
Nina Rathaj Room 4.01
Phone: 33241
limbache
at
uni-muenster.de

Secretary
(on maternity leave)












































 

Former members
  • Dr. Ivana Antol
    • Theoretical study of the bilogically relevant photochemical reactions
  • Jan Budde
    • Efficient conformational search algorithm for large organic molecules
  • Dr. Christian Diedrich
    • Calculation of chiroptical properties
    • Quantum Monte-Carlo methods
  • Dr. Marc Dierksen
    • Calculation of vibronic spectra
  • Dr. Mareike Gerenkamp
    • DFT/MRCI
    • SCS-MP2
  • Dr. Robert Hünerbein
  • Dr. Isabella Hyla-Kryspin, ihk at uni-muenster.de
    • Structure and reactivity of transition metal compounds
    • Weak interactions of organofluorine compounds
  • Dr. Ekaterina Izgorodina
    • QCISD(T) for canonical and non-canonical determinants
    • a selection approach in coupled-cluster: linear scaling to the molecular size
    • 0-0 transition energies by CIS(D) and SCS-CIS(D)
  • Dr. Martin Korth
  • Simone Linke
    • Mechanistic investigation of base catalysed oxidation reactions
  • Dr. Manuel Piacenza
    • Application and evaluation of density functional methods
    • Bio-inorganic and carbohydrate reactions
  • Dr. Maja Parac
    • Excited states of organic dyes
  • Dipl.-Chem. Julia Rakow
    • Weak intermolecular interactions
  • Dr. Tobias Schwabe
    • Development and testing of new DFT methods
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Organic Chemistry Institute
Corrensstr. 40
· D-48149 Münster
 Tel.: +49 0228 73 2351 · Fax: +49 0228 73 9064
 E-Mail: grimme@thch.uni-bonn.de