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Programme


The Faraday Discussion 144 programme follows. A full programme with timings is available to download from this page.

Introductory Lecture


Kurt Kremer* 
Max Planck Institute for Polymer Research, Mainz, Germany

Session 1: Polymer Simulation


Image of lipids

Fine-graining without coarse-graining: an easy and fast way to equilibrate dense polymer melts
Paola Carbone, Hossein Ali Karimi-Varzaneh and Florian Muller-Plathe*
Technische Universität Darmstadt, Germany

Systematic coarse-graining of molecular models by the Newton inversion
Alexander Lyubartsev and Aatto Laaksonen*
Stockholm University, Sweden

Mesoscale modelling of polyelectrolyte electrophoresis
Kai Grass and Christian Holm*
Goethe University, Germany

Kinetic Monte Carlo simulations of flow-induced nucleation in polymer melts
Richard S Graham*, and Peter D Olmsted
University of Nottingham, UK


Session 2: Self-assembly and liquid crystals


Monte Carlo simulation of coarse grain polymeric systems
Francois A Detcheverry, Darin Q Pike, Marcus Müller and Juan J De Pablo*
University of Wisconsin-Madison, USA

A simple coarse-grained model for self-assembling silk-like protein fibers 
Marieke Schor, Bernd Ensing and Peter G Bolhuis*
Universiteit van Amsterdam, The Netherlands

Phase behaviour of low-functionality, telechelic star block copolymers
Federica Lo Verso*, Athanassios Z Panagiotopoulos and Christos N Likos
Johannes-Gutenberg-Universität Mainz, Germany

Mesoscopic modelling of colloids in chiral nematics
Miha Ravnik*, Gareth P Alexander, Julia M Yeomans and Slobodan Zumer
University of Ljubljana, Slovenia

A molecular level simulation of a twisted nematic cell
Matteo Ricci, Marco Mazzeo, Roberti Berardi, Paolo Pasini and Claudio Zannoni*
Università di Bologna, Italy

Lyotropic self-assembly mechanism of T-shaped polyphilic molecules
Andrew J Crane and Erich A Müller*
Imperial College London, UK


Session 3: Colloids and Advances in Methodology


Coarse-grained simulations of charge, current and flow in heterogeneous media 
Benjamin Rotenberg, Ignacio Pagonabarraga and Daan Frenkel*
University of Cambridge, UK

Multi-particle collision dynamics simulations of sedimenting colloidal dispersions in confinement
Adam Wysocki, C Patrick Royall, Roland G Winkler, Gerhard Gompper, Hajime Tanaka, Alfons van Blaaderen and Hartmut Löwen*
Heinrich-Heine-Universität Düsseldorf, Germany

Can the isotropic-smectic transition of colloidal hard rods occur via nucleation and growth?
Alejandro Cuetos, Eduardo Sanz and Marjolein Dijkstra*
Utrecht University, The Netherlands

Multi-scale simulation of asphaltene aggregation and deposition in capillary flow
Edo S Boek*, Johan T Padding, Tom Headen and John Crawshaw
Schlumberger Cambridge Research, UK

Coarse-graining dynamics for convection-diffusion of colloids: Taylor dispersion
Jimaan Sané, Johan T Padding and Ard A Louis*
University of Oxford, UK

Mori-Zwanzig formalism as a practical computational tool
Carmen Hijón, Pep Espanol*, Erik Vanden-Eijnden and Rafael Delgado-Buscalioni
Universidad Nacional de Educacion a Distancia, Madrid, Spain


Session 4: Membranes


Hierarchical coarse-graining strategy for protein-membrane systems to access mesoscopic scales 
Gary S Ayton, Edward Lyman and Gregory A Voth*
University of Utah, USA

Towards an understanding of membrane-mediated protein-protein interations
Marianna Yiannourakou, Luca Marsella, Frederick de Meyer and Berend Smit*
University of California, Berkeley, USA

Measuring excess free energies of self-assembled membrane structures
Yuki Norizoe, Kostas Ch Daoulas and Marcus Müller*
Georg-August-Universität, Germany

Lateral pressure profiles in lipid monolayers
Svetlana Baoukina, Siewert J Marrink and D Peter Tieleman*
University of Calgary, Canada

Concerted diffusion of lipids in raft-like membranes
Touko Apajalahti, Perttu Niemelä, Praveen Nedumpully Govindan, Markus S Miettinen, Emppu Salonen, Siewert-Jan Marrink and Ilpo Vattulainen*
Tampere University of Technology, Finland

Membrane poration by antimicrobial peptides combining atomistic and coarse grained descriptions
Andrzej J Rzepiela*, Durba Sengupta, Nicolae Goga and Siewert-Jan Marrink
University of Groningen, The Netherlands


Concluding Remarks


Herman Berendsen*
University of Groningen, The Netherlands

 

*Denotes presenting author to whom affiliation applies


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