Aktuelle Veranstaltungen des CMTC

To be announced ...

Andere CMTC-Relevante Aktuelle Veranstaltungen

Dienstag, 14.11.2017: Dr. Peter Deglmann (BASF SE, Ludwigshafen, Deutschland)
Quantum Chemistry for Real World Applications - Thermodynamics and Kinetics in the Condensed Phase
18:00 h, Seminarraum W427, Corrensstr. 28/30


Frühere Veranstaltungen des CMTC

Montag, 04.09.2017: Prof. Dr. Ulrich Hohenester (Karl-Franzens-Universität Graz, Österreich)
Probing plasmon and phonon polaritons using electrons
14:15 h, Seminarraum 718, Wilhelm-Klemm-Str. 10

Donnerstag, 20.04.2017: Prof. Dr. Stuart A. MacGregor (Heriot-Watt University of Edinburgh, UK)
Adventures in C-H activation using Computational Chemistry
17:15 h, Hörsaal C2, Wilhelm-Klemm-Str. 6

Montag, 16.01.2017: Prof. Dr. Daniel Sebastiani (Martin-Luther-Universität Halle-Wittenberg, Deutschland)
Vibrational Circular Dichroism in the Condensed Phase from First Principles
15:15 h, Seminarraum W428, Corrensstr. 28/30

Donnerstag, 24.11.2016: Jun.-Prof. Dr. Doris Reiter (Westfälische Wilhelms-Universität Münster, Deutschland)
Light-Matter-Interaction in Metal and Semiconductor Nanostructures
14:00 h, Seminarraum W428, Corrensstr. 28/30

Montag, 23.05.2016: Prof. Dr. Simon Bernèche (Universität Basel, Schweiz)
Exploring novel molecular mechanisms in biological channels and transporters using free energy simulations
15:00 h, Seminarraum des Max-Planck-Instituts für molekulare Biomedizin, Röntgenstr. 20

Mittwoch, 16.03.2016: Dr. Pawel Rodciewicz (Universität Bialystok, Polen)
Sulfur mustard in the gas phase and water solution: interplay between intra- and intermolecular hydrogen bonds
10:00 h, Seminarraum IG1-718, Wilhelm-Klemm-Str. 10

Mittwoch, 13.01.2016: Prof. Dr. Clémence Corminboeuf (EPFL Lausanne, Schweiz)
Computational Organic Chemistry using Original Electronic Structure Approaches
16:15 h, Hörsaal C2, Wilhelm-Klemm-Str. 6

Mittwoch, 06.01.2016: Prof. Dr. Michele Pavanello (Rutgers University Newark, USA)
Nonlocal Kinetic Energy Potentials by Functional Integration: An interactive seminar
13:15 h, Seminarraum 423, OC, Corrensstr. 40

Donnerstag, 19.11.2015: Prof. Dr. Paul Ayers (McMaster University Hamilton, Kanada)
Learning New, and Old, Chemical Concepts
17:15 h, Hörsaal C2, Wilhelm-Klemm-Str. 6

Mittwoch, 18.11.2015: Prof. Dr. Paul Ayers (McMaster University Hamilton, Kanada)
Mean-Field Methods for Electron Pairs:
Some New Twists on an Old Approach to Strong Electron Correlation (SFB-Ringvorlesung)

16:15 h, Hörsaal C2, Wilhelm-Klemm-Str. 6

Mittwoch, 28.10.2015: Prof. Dr. Lars Schäfer (Ruhr Universität Bochum, Deutschland)
Hybrid All-Atom/Coarse-Grained Simulations of Biomolecules: How Fast, How Accurate?
13:15 h, Hörsaal O1, Wilhelm-Klemm-Str. 6

Donnerstag, 15.10.2015: Prof. Dr. Peter Schwerdtfeger (Massey University Auckland, Neuseeland)
Playing with Hexagons and Pentagons – The Wonderful World of Fullerenes
17:15 h, Hörsaal C2, Wilhelm-Klemm-Str. 6

Donnerstag, 01.10.2015: Dr. Alex H. de Vries (University of Groningen, Niederlande)
Hybrid classical mechanics atomistic and coarse-grained models: plenty of challenges!
14:15 h, Seminarraum W427, Corrensstr. 28/30

Freitag, 03.07.2015: Ass.-Prof. Dr. Rosa E. Bulo (Utrecht University, Niederlande)
FlexMD: Flexibility with Adaptive QM/MM
11:15 h, Hörsaal O1, Wilhelm-Klemm-Str. 6

Mittwoch, 17.06.2015: Prof. Dr. Aditya N. Panda (Indian Institute of Technology Guwahati, Indien)
Unraveling the mechanisms in atom+diatom reaction systems
14:15 h, Seminarraum 718, IG1 Physik (7. Stock), Wilhelm-Klemm-Str. 10

Montag, 08.06.2015: 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, Seminarraum 423, OC, Corrensstr. 40

Dienstag, 02.06.2015: 2nd Twente-Münster Mini-Symposium on "Multi-Scale Theory and Computational Science
09.55h - 13.00h, University of Twente/Netherlands, Zuidhorst-Gebäude, Raum ZH 286
(Wegbeschreibung unter cmtc@uni-muenster.de)

  • Andreas Heuer (WWU, Institut für Physikalische Chemie):
    Understanding structure formation in lipid membranes via computer simulations
  • Michael Rohlfing (WWU, Institut für Festkörpertheorie):
    Electronic Excitation of Condensed Matter: electrons, holes, excitons, and their ab-initio description
  • Christian Himpe (WWU, Institute for Computational and Applied Mathematics, AG Prof. Ohlberger):
    Model Reduction for Parameterized Systems
  • Marwin Segler (WWU, Organisch-Chemisches Institut, AG 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, Institut für Theoretische Physik):
    Control and selection of spatio-temporal patterns in dynamic self-assembly systems

Donnerstag, 07.05.2015: Prof. Dr. Kendall N. Houk (University of California, Los Angeles, USA)
Theory and Modeling of Stereoselective Organic Reactions
17:15 h, Hörsaal C2, Wilhelm-Klemm-Str. 6

Montag, 04.05.2015: Prof. Dr. Frank Neese (MPI für Chem. Energiekonversion Mülheim a. d. Ruhr, Deutschland)
New Insights into the Key Reaction of Photosynthesis: Structure and Mechanism of the Water-Oxidizing Manganese Cluster
in Photosystem II

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

Donnerstag, 16.04.2015: Prof. Dr. Franziska Schoenebeck (RWTH Aachen, Deutschland)
Adventures in Organometallic Catalysis - Computation and Experiment
17:15 h, Hörsaal C2, Wilhelm-Klemm-Str. 6

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

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

(Hörsaal S10 im Schloss der WWU)

Freitag, 27.02.2015: Assoc.-Prof. Dr. U. Deva Priyakumar (Indian Institute for Information Technology Hyderabad, Indien)
Thermal and Chemical Perturbations on Mechanical Stability of Proteins.
10:15h, Seminarraum W 328 (AC/PC II), Corrensstr. 28-30

Freitag, 06.02.2015: Prof. Dr. Carmen Herrmann (Universität Hamburg, Deutschland)
Theoretical Description of  Mechanical Properties and Switching Behaviour of Molecular Junctions
10.15h, Hörsaal O1, Wilhelm-Klemm-Str. 6

Donnerstag, 05.02.2015: Prof. Dr. Jeremy Harvey (KU Leuven, Belgien)
Reaction mechanisms in solution: from simple atom abstraction to hydroformylation catalysis
17:15 h, Hörsaal C2, Wilhelm-Klemm-Str. 6

Mittwoch, 04.02.2015: Prof. Dr. Carmen Herrmann (Universität Hamburg, Deutschland)
Charge and Spin Transport Through Molecular Junctions (SFB858-Ringvorlesung)
16.15h, Hörsaal C2, Wilhelm-Klemm-Str. 6

Montag, 26.01.2015: 1st Münster-Twente-Minisymposium on Multiscale Theory and Computation
10:00 h - 13:00 h, Hörsaal 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

Frühere Veranstaltungen: siehe Archiv