CCL: 2010 Gordon Research Conference on Computational Chemistry ...

 Sent to CCL by: "D. Boyd" [dboyd .. iupui.edu]
Prof. Dr. Walter Thiel (Max-Planck-Institut fur Kohlenforschung, Mulheim, Germany) is chairing the 2010 Gordon Research Conference on Computational Chemistry. This biennial conference is convening August 29 - September 3, 2010 at the conference center in Les Diablerets, Switzerland. 
 The program includes the following invited speakers:
 Keynote Lecture: Martin Karplus (Harvard University, Cambridge, USA)
 "How proteins work: insights from simulations"
 Wilfred van Gunsteren (ETH Zürich, Switzerland)
"Computer simulation of polypeptide folding equilibria: factors determining success or failure" 
 Discussion Leader: Christian Ochsenfeld (University of Munich, Germany)
 Gustavo Scuseria (Rice University, Houston, USA)
 "New models for mixing wavefunctions with density functional theory"
 Stefan Grimme (University of Münster, Germany)
"Dispersion corrected density functionals for general chemistry applications" 
 Joost VandeVondele (University of Zürich, Switzerland)
"Applications of hybrid density functionals in large condensed phase systems"
Discussion Leader: Jay Ponder (Washington University Medical School, St. Louis, USA)
Helmut Grubmueller (Max-Planck-Institut für biophysikalische Chemie, Gottingen, Germany) 
 "Forces and non-equilibrium dynamics in biomolecular nanomachines"
 David Case (Rutgers University, Piscataway, USA)
"Recent developments in molecular mechanics force fields for proteins and nucleic acids" 
 Discussion Leader: Hans-Martin Senn (University of Glasgow, UK)
 Qiang Cui (University of Wisconsin, Madison, USA)
"Electrostatics in multi-resolution QM/MM and coarse-grained simulations" 
 Ursula Rothlisberger (EPF Lausanne, Switzerland)
 "Rhodopsin revisited: QM, QM/MM and MM simulations on rhodopsin et
 al."
 Florian Mueller-Plathe (Technical University Darmstadt, Germany)
 "Multiscale simulation of soft matter: status and perspectives"
 Discussion Leader: Holger Gohlke (University of Düsseldorf, Germany)
 Mike Gilson (University of California at San Diego, USA)
 "Affinity, entropy, and mechanical stress in molecular recognition"
 Matthias Rarey (University of Hamburg, Germany)
"Structure-based molecular design: pragmatic approaches to docking, scoring, and the analysis of complexes" 
 Discussion Leader: Bill Swope (IBM Research, San Jose, USA)
 Weitao Yang (Duke University, Durham, USA)
"Free energy and mechanism of reactions in solution and in enzymes with ab initio QM/MM methods" 
 Chris Chipot (CNRS and Université Nancy, France)
"Gliding on multidimensional free-energy landscapes using time- dependent biases on collective variables" 
 Discussion Leader: Alice Glättli (BASF, Ludwigshafen, Germany)
 Jed Pitera (IBM Research, San Jose, USA)
 "Simulating nanostructured polymers for industrial applications"
 Jan Schoneboom (BASF, Ludwigshafen, Germany)
"Quantum chemical calculations for material design in organic photovoltaics" 
 Discussion Leader: Vincenzo Barone (University of Pisa, Italy)
 Todd Martinez (Stanford University, USA)
"Quantum chemistry and first principles dynamics of proteins and ligand-protein interactions using graphical processing units" 
 Frank Neese (University of Bonn, Germany)
"Recent developments and applications in local coupled cluster approaches based on pair natural orbitals" 
 Andreas Dreuw (University of Frankfurt, Germany)
"Excited states of large molecules: a challenge to modern electronic structure theory" 
 Discussion Leader: Julia Rice (IBM Research, San Jose, USA)
 Karsten Reuter (Technical University Munich, Germany)
 "Towards a first-principles chemical engineering"
 Adrian Mulholland (University of Bristol, UK)
"Combined quantum mechanics/molecular mechanics (QM/MM) methods in computational enzymology"
The deadline for applying is August 8. To apply to participate in the conference, please go to http://www.grc.org/programs.aspx?year=2010&program=compchem 
 Thanks.
 Donald B. Boyd, Ph.D.
 Research Professor of Chemistry
 Editor Emeritus, Reviews in Computational Chemistry
 Department of Chemistry and Chemical Biology
 Indiana University-Purdue University at Indianapolis