Download this program as iCal / Outlook file.

Day 1 - July, 16th 2008

Session I: Theoretical Aspects

• 09:00 to 09:15 - Welcome
• 09:15 to 09:45 - Rob Groot
  
  Basics of the DPD method
• 09:45 to 10:30 - Josep Bonet Avalos
  
  Constant-Energy DPD
• 10:30 to 11:00 - Coffee Break
• 11:00 to 11:45 - Ignacio Pagonabarraga
  
  Soft potentials for coarse grained modeling
• 11:45 to 12:30 - Tomoyuki Kinjo
  
  Microscopic basis of dissipative particle dynamics
• 12:30 to 14:00 - Lunch Break

Session II: Model Development

• 14:00 to 14:45 - Maurizio Fermeglia
  
  Message-passing multiscale molecular modeling: mapping atomistic to mesoscale simulation
• 14:45 to 15:30 - Karl Travis
  
  Parameterising the conservative forces using Regular Solution Theory: Application to liquid-liquid equilibria
• 15:30 to 15:50 - Coffee Break
• 15:50 to 16:35 - Reinier Akkermans
  
  Mesoscale model parameters from molecular cluster calculations
• 16:35 to 17:20 - Martin Nilsson Jacobi
  
  Estimation of effective interactions in DPD from microscopic simulations
• 17:20 to 17:45 - Discussion

Day 2 - July, 17th 2008

Session III: Applications I

• 09:00 to 09:45 - Bernard Rousseau
  
  DPD simulations of polymer melts: From Rouse dynamics to reptation using soft potentials
• 09:45 to 10:30 - Patrice Malfreyt
  
  DPD simulations of polymer brushes: friction and compression
• 10:30 to 11:00 - Coffee Break
• 11:00 to 11:45 - Sudip Roy
  
  Studying polymer miscibility by dissipative particle dynamics
• 11:45 to 12:30 - Venkat Ganesan
  
  Dissipative particle dynamics of polymer nanoparticle mixtures
• 12:30 to 14:00 - Lunch Break

Session III: Applications II

• 14:00 to 14:45 - Julian Shillcock
  
  Towards a computational cell: membranes, nanoparticles and filaments
• 14:45 to 15:30 - Rob Groot
  
  DPD of surfactant complexation and interaction with triglyceride oil: parameterization by experimental solubility data
• 15:30 to 15:50 - Coffee Break
• 15:50 to 16:35 - Samy Merabia
  
  Thin film dynamics: new dewetting scenarios highlighted by DPD
• 16:35 to 17:20 - Henry Bock
  
  Directing surfactant self-assembly in carbon nanotube materials
• 17:20 to 17:45 - Discussion

Day 3 - July, 18th 2008

Session IV: Beyond Conventional DPD

• 09:00 to 09:45 - Martin Lisal
  
  Combining dissipative particle dynamics with reaction ensemble Monte Carlo
• 09:45 to 10:30 - Hans Fraaije
  
  Concepts for integrated multiscale modelling with the Chemistry Unified Lanaguage Interface (Culgi)
• 10:30 to 11:15 - Rafael Delgado Buscalioni
  
  A multiscale link between atomistic and continuum hydrodynamics modelling via adaptive coarse-graining
• 11:15 to 11:45 - Closing word