Dissipative Particle Dynamics: Addressing deficiencies and establishing new frontiers

July 16, 2008 to July 18, 2008

Location : CECAM-EPFL, Lausanne, Switzerland

Details	Participants	Program	Posters	Abstracts	Files
Mesoscale model parameters from molecular cluster calculations Reinier Akkermans Combining dissipative particle dynamics with reaction ensemble Monte Carlo Martin Lisal Basics of the DPD method Rob Groot Soft potentials for coarse grained modeling Ignacio Pagonabarraga Microscopic basis of dissipative particle dynamics Tomoyuki Kinjo Studying polymer miscibility by dissipative particle dynamics Sudip Roy Message-passing multiscale molecular modeling: mapping atomistic to mesoscale simulation Maurizio Fermeglia Parameterising the conservative forces using Regular Solution Theory: Application to liquid-liquid equilibria Karl Travis Estimation of effective interactions in DPD from microscopic simulations Martin Nilsson Jacobi DPD simulations of polymer melts: From Rouse dynamics to reptation using soft potentials ROUSSEAU Bernard DPD simulations of polymer brushes: friction and compression Patrice Malfreyt Dissipative particle dynamics of polymer nanoparticle mixtures Venkat Ganesan Towards a computational cell: membranes, nanoparticles and filaments Julian Shillcock DPD of surfactant complexation and interaction with triglyceride oil: parameterization by experimental solubility data Rob Groot Thin film dynamics: new dewetting scenarios highlighted by DPD Samy Merabia Concepts for integrated multiscale modelling with the Chemistry Unified Lanaguage Interface (Culgi) Hans Fraaije A multiscale link between atomistic and continuum hydrodynamics modelling via adaptive coarse-graining Rafael Delgado-Buscalioni Directing surfactant self-assembly in carbon nanotube materials Henry Bock Dissipative Particle Dynamics with Energy Conservation Josep Bonet Avalos