Discussion summary and research papers, in physical chemistry, chemical physics and biophysical chemistry.
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Faraday Discussion 144: Multiscale Modelling of Soft Matter
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Contents list for Faraday Discussions, volume 144, 2010
Front cover
Faraday Discuss., 2010, 144, 1
DOI: 10.1039/b921136p
Contents
Faraday Discuss., 2010, 144, 3
DOI: 10.1039/b921137n
Papers
Multiscale simulation of soft matter systems
Christine Peter and Kurt Kremer,
Faraday Discuss., 2010, 144, 9
DOI: 10.1039/b919800h
Fine-graining without coarse-graining: an easy and fast way to equilibrate dense polymer melts
Paola Carbone, Hossein Ali Karimi-Varzaneh and Florian Müller-Plathe,
Faraday Discuss., 2010, 144, 25
DOI: 10.1039/b902363a
Systematic coarse-graining of molecular models by the Newton inversion method
Alexander Lyubartsev, Alexander Mirzoev, LiJun Chen and Aatto Laaksonen,
Faraday Discuss., 2010, 144, 43
DOI: 10.1039/b901511f
Mesoscale modelling of polyelectrolyte electrophoresis
Kai Grass and Christian Holm,
Faraday Discuss., 2010, 144, 57
DOI: 10.1039/b902011j
Kinetic Monte Carlo simulations of flow-induced nucleation in polymer melts
Richard S. Graham and Peter D. Olmsted,
Faraday Discuss., 2010, 144, 71
DOI: 10.1039/b901606f
Discussion
General discussion
Faraday Discuss., 2010, 144, 93
DOI: 10.1039/b917706j
Papers
Simulations of theoretically informed coarse grain models of polymeric systems
François A. Detcheverry, Darin Q. Pike, Paul F. Nealey, Marcus Müller and Juan J. de Pablo,
Faraday Discuss., 2010, 144, 111
DOI: 10.1039/b902283j
A simple coarse-grained model for self-assembling silk-like protein fibers
Marieke Schor, Bernd Ensing and Peter G. Bolhuis,
Faraday Discuss., 2010, 144, 127
DOI: 10.1039/b901608b
Phase behavior of low-functionality, telechelic star block copolymers
Federica Lo Verso, Athanassios Z. Panagiotopoulos and Christos N. Likos,
Faraday Discuss., 2010, 144, 143
DOI: 10.1039/b905073f
Mesoscopic modelling of colloids in chiral nematics
Miha Ravnik, Gareth P. Alexander, Julia M. Yeomans and Slobodan Zumer,
Faraday Discuss., 2010, 144, 159
DOI: 10.1039/b908676e
A molecular level simulation of a twisted nematic cell
Matteo Ricci, Marco Mazzeo, Roberto Berardi, Paolo Pasini and Claudio Zannoni,
Faraday Discuss., 2010, 144, 171
DOI: 10.1039/b901784d
Lyotropic self-assembly mechanism of T-shaped polyphilic molecules
Andrew J. Crane and Erich A. Müller,
Faraday Discuss., 2010, 144, 187
DOI: 10.1039/b901601e
Discussion
General discussion
Faraday Discuss., 2010, 144, 203
DOI: 10.1039/b917708f
Papers
Coarse-grained simulations of charge, current and flow in heterogeneous media
Benjamin Rotenberg, Ignacio Pagonabarraga and Daan Frenkel,
Faraday Discuss., 2010, 144, 223
DOI: 10.1039/b901553a
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,
Faraday Discuss., 2010, 144, 245
DOI: 10.1039/b901640f
Can the isotropic-smectic transition of colloidal hard rods occur via nucleation and growth?
Alejandro Cuetos, Eduardo Sanz and Marjolein Dijkstra,
Faraday Discuss., 2010, 144, 253
DOI: 10.1039/b901594a
Multi-scale simulation of asphaltene aggregation and deposition in capillary flow
Edo S. Boek, Thomas F. Headen and Johan T. Padding,
Faraday Discuss., 2010, 144, 271
DOI: 10.1039/b902305b
The crossover from single file to Fickian diffusion
Jimaan Sané, Johan T. Padding and Ard A. Louis,
Faraday Discuss., 2010, 144, 285
DOI: 10.1039/b905378f
Mori–Zwanzig formalism as a practical computational tool
Carmen Hijón, Pep Español, Eric Vanden-Eijnden and Rafael Delgado-Buscalioni,
Faraday Discuss., 2010, 144, 301
DOI: 10.1039/b902479b
Discussion
General discussion
Faraday Discuss., 2010, 144, 323
DOI: 10.1039/b917709b
Papers
Hierarchical coarse-graining strategy for protein-membrane systems to access mesoscopic scales
Gary S. Ayton, Edward Lyman and Gregory A. Voth,
Faraday Discuss., 2010, 144, 347
DOI: 10.1039/b901996k
Towards an understanding of membrane-mediated protein–protein interactions
Marianna Yiannourakou, Luca Marsella, Frédérick de Meyer and Berend Smit,
Faraday Discuss., 2010, 144, 359
DOI: 10.1039/b902190f
Measuring excess free energies of self-assembled membrane structures
Yuki Norizoe, Kostas Ch. Daoulas and Marcus Müller,
Faraday Discuss., 2010, 144, 369
DOI: 10.1039/b901657k
Lateral pressure profiles in lipid monolayers
Svetlana Baoukina, Siewert J. Marrink and D. Peter Tieleman,
Faraday Discuss., 2010, 144, 393
DOI: 10.1039/b905647e
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,
Faraday Discuss., 2010, 144, 411
DOI: 10.1039/b901487j
Membrane poration by antimicrobial peptides combining atomistic and coarse-grained descriptions
Andrzej J. Rzepiela, Durba Sengupta, Nicolae Goga and Siewert J. Marrink,
Faraday Discuss., 2010, 144, 431
DOI: 10.1039/b901615e
Discussion
General discussion
Faraday Discuss., 2010, 144, 445
DOI: 10.1039/b917710h
Papers
Concluding remarks
Herman J. C. Berendsen,
Faraday Discuss., 2010, 144, 467
DOI: 10.1039/b917077b
Poster titles
Faraday Discuss., 2010, 144, 483
DOI: 10.1039/b920184j
List of participants
Faraday Discuss., 2010, 144, 487
DOI: 10.1039/b920185h
Index of contributors
Faraday Discuss., 2010, 144, 491
DOI: 10.1039/b920186f
Back cover
Faraday Discuss., 2010, 144, 493
DOI: 10.1039/b921138c
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