Upcoming Events in the CMTC

To be announced ...

Past Events in the CMTC

Thursday, April 20, 2017: Prof. Dr. Stuart A. MacGregor (Heriot-Watt University of Edinburgh, UK)
Adventures in C-H activation using Computational Chemistry
17:15 h, Lecture Hall C2, Wilhelm-Klemm-Str. 6

Monday, January 16, 2017: Prof. Dr. Daniel Sebastiani (Martin Luther University of Halle-Wittenberg, Germany)
Vibrational Circular Dichroism in the Condensed Phase from First Principles
15:15 h, Seminar room W428, Corrensstr. 28/30

Thursday, November 24, 2016: Jun.-Prof. Dr. Doris Reiter (University of Münster, Germany)
Light-Matter-Interaction in Metal and Semiconductor Nanostructures
14:00 h, Seminar room W428, Corrensstr. 28/30

Monday, May 23, 2016: Prof. Dr. Simon Bernèche (University of Basel, Switzerland)
Exploring novel molecular mechanisms in biological channels and transporters using free energy simulations
15:00 h, Seminar room of the Max Planck Institute for Molecular Biomedicine, Röntgenstr. 20

Wednesday, March 16, 2016: Dr. Pawel Rodciewicz (University of Bialystok, Poland)
Sulfur mustard in the gas phase and water solution: interplay between intra- and intermolecular hydrogen bonds
10:00 h, Seminar room IG1-718, Wilhelm-Klemm-Str. 10

Wednesday, January 13, 2016: Prof. Dr. Clémence Corminboeuf (EPFL Lausanne, Switzerland)
Computational Organic Chemistry using Original Electronic Structure Approaches
16:15 h, Lecture Hall C2, Wilhelm-Klemm-Str. 6

Wednesday, January 06, 2016: Prof. Dr. Michele Pavanello (Rutgers University Newark, USA)
Nonlocal Kinetic Energy Potentials by Functional Integration: An interactive seminar
13:15 h, Seminar room 423, OC, Corrensstr. 40

Thursday, November 19, 2015: Prof. Dr. Paul Ayers (McMaster University Hamilton, Canada)
Learning New, and Old, Chemical Concepts
17:15 h, Lecture Hall C2, Wilhelm-Klemm-Str. 6

Wednesday, November 18, 2015: Prof. Dr. Paul Ayers (McMaster University Hamilton, Canada)
Mean-Field Methods for Electron Pairs:
Some New Twists on an Old Approach to Strong Electron Correlation
(SFB lecture)
16:15 h, Lecture Hall C2, Wilhelm-Klemm-Str. 6

Wednesday, October 28, 2015: Prof. Dr. Lars Schäfer (Ruhr University Bochum, Germany)
Hybrid All-Atom/Coarse-Grained Simulations of Biomolecules: How Fast, How Accurate?
13:15 h, Lecture Hall O1, Wilhelm-Klemm-Str. 6

Thursday, October 15, 2015: Prof. Dr. Peter Schwerdtfeger (Massey University Auckland, New Zealand)
Playing with Hexagons and Pentagons – The Wonderful World of Fullerenes
17:15 h, Lecture Hall C2, Wilhelm-Klemm-Str. 6

Thursday, October 01, 2015: Dr. Alex H. de Vries (University of Groningen, Netherlands)
Hybrid classical mechanics atomistic and coarse-grained models: plenty of challenges!
14:15 h, Seminar Room W427, Corrensstr. 28/30

Friday, July 03, 2015: Ass.-Prof. Dr. Rosa E. Bulo (Utrecht University, Netherlands)
FlexMD: Flexibility with Adaptive QM/MM
11:15 h, Lecture Hall O1, Wilhelm-Klemm-Str. 6

Wednesday, June 17, 2015: Prof. Dr. Aditya N. Panda (Indian Institute of Technology Guwahati, India)
Unraveling the mechanisms in atom+diatom reaction systems
14:15 h, Seminar Room 718, IG1 Physik (7. floor), Wilhelm-Klemm-Str. 10

Monday, June 08, 2015: Dr. Xiaoqing Wang (Max Planck Institute for the Physics of Complex Systems, Dresden/Germany)
Using Molecular Dynamics simulation and Quantum Mechanics/Molecular Mechanics method to study Photosynthetic Pigment Protein Complex and myo-Inositol Monophosphatase
11:00 h, Seminar Room 423, OC, Corrensstr. 40

Tuesday, June 02, 2015: 2nd Twente-Münster Mini-Symposium on "Multi-Scale Theory and Computational Science
09.55h - 13.00h., University of Twente/Netherlands, Zuidhorst building, Room ZH 286
(for directions email cmtc@uni-muenster.de)

  • Andreas Heuer (WWU, Institute for Physical Chemistry):
    Understanding structure formation in lipid membranes via computer simulations
  • Michael Rohlfing (WWU, Institute for Solid State Theory):
    Electronic Excitation of Condensed Matter: electrons, holes, excitons, and their ab-initio description
  • Christian Himpe (WWU, Institute for Computational and Applied Mathematics, group of Prof. Ohlberger):
    Model Reduction for Parameterized Systems
  • Marwin Segler (WWU, Institute for Organic Chemistry, group of Dr. Waller):
    Adaptive and Reactive
  • Sissi de Beer (UT, Material Science and Technology of Polymers):
    Molecular dynamics as a tool for unraveling and eliminating dissipation  mechanisms in polymer brush friction
  • Svetlana Gurevich (WWU, institute for theoretical Physics):
    Control and selection of spatio-temporal patterns in dynamic self-assembly systems

Thursday, May 07, 2015: Prof. Dr. Kendall N. Houk (University of California, Los Angeles, USA)
Theory and Modeling of Stereoselective Organic Reactions
17:15 h, Lecture Hall C2, Wilhelm-Klemm-Str. 6

Monday, May 04, 2015: Prof. Dr. Frank Neese (MPI for Chem. Energy Conversion Mülheim a. d. Ruhr, Germany)
New Insights into the Key Reaction of Photosynthesis: Structure and Mechanism of the Water-Oxidizing Manganese Cluster
in Photosystem II

17:15 h, Lecture Hall C2, Wilhelm-Klemm-Str. 6

Thursday, April 16, 2015: Prof. Dr. Franziska Schoenebeck (RWTH Aachen, Germany)
Adventures in Organometallic Catalysis - Computation and Experiment
17:15 h, Lecture Hall C2, Wilhelm-Klemm-Str. 6

09.03.-11.03.2015: Workshop / ConferenceFew Newlogo 157-120

The 2015 CMTC workshop on "Computing free energy across disciplines:from method development to applications".

(Lecture Hall S10 at the Schloss of the WWU)

Friday, February 27, 2015: Assoc.-Prof. Dr. U. Deva Priyakumar (Indian Institute for Information Technology Hyderabad, Indien)
Thermal and Chemical Perturbations on Mechanical Stability of Proteins.
10:15h, Seminar Room W 328 (AC/PC II), Corrensstr. 28-30

Friday, February 06, 2015: Prof. Dr. Carmen Herrmann (Universität Hamburg, Germany)
Theoretical Description of  Mechanical Properties and Switching Behaviour of Molecular Junctions
10.15h, Lecture Hall O1, Wilhelm-Klemm-Str. 6

Thursday, February 05, 2015: Prof. Dr. Jeremy Harvey (KU Leuven, Belgium)
Reaction mechanisms in solution: from simple atom abstraction to hydroformylation catalysis
17:15 h, Lecture Hall C2, Wilhelm-Klemm-Str. 6

Wednesday, February 04, 2015: Prof. Dr. Carmen Herrmann (Universität Hamburg, Germany)
Charge and Spin Transport Through Molecular Junctions (SFB858-Ringvorlesung)
16.15h, Lecture Hall C2, Wilhelm-Klemm-Str. 6

Monday, January 26, 2015: 1st Münster-Twente-Minisymposium on Multiscale Theory and Computation
10:00 h - 13:00 h, Lecture Hall O1, Wilhelm-Klemm-Str. 6

  • Stefan Luding (University of Twente, NL):
    From discrete particles to continuum theory - Multiscale mechanics for fluids and solids
  • Vlad Cojocaru (MPI für Molekulare Biomedizin, Münster / D):
    Cooperativity and allostery in protein-DNA recognition: insights from molecular simulations
  • Wouter den Otter (University of Twente, NL):
    Coarse-grained simulations of protein aggregation
  • Wim Briels (University of Twente, NL):
    Momentum conserving Brownian Dynamics simulations of soft matter
  • Uwe Thiele (Institute for Theoretical Physics, WWU Münster / D):
    Parameter passing from microscopic (MD, DFT) to mesoscopic models of capillarity - the determination of binding potentials
  • Bernard Geurts (University of Twente, NL and Eindhoven University of Technology, NL):
    Simulation of flow in complex domains

Earlier Events: compare archive