Документ взят из кэша поисковой машины. Адрес оригинального документа : http://polly.phys.msu.ru/conference/workshop2010/workshop_Moscow2010_sci-prog.pdf Дата изменения: Fri May 28 08:01:41 2010 Дата индексирования: Mon Oct 1 21:26:16 2012 Кодировка:

International Workshop "Theory and Computer Simulation of Polymers: New Developments" (May 31 -- June 6, 2010, Moscow, Russia) Preliminary scientific programme
The titles of sessions should not be considered as strongly restricting, they only serve for a rough orientation, and speakers should not feel themselves somehow constrained by the titles of their sessions. The time of a talk is indicated for talk and questions/discussion, and all contributors are asked to leave at least 5 minutes for questions/discussion. Monday, May 31
19:00 Come-together, registration

Tuesday, June 1
8:30-19:00 8:45 Session 1 9:00-10:30 30 min. 20 min. 20 min. 20 min. 10:30-11:00 11:00-12:30 30 min. 20 min. 20 min. 20 min. 12:30-14:00 Session 2 14:00-15:10 30 min. 20 min. 20 min. Registration Opening Nanocomposites A.Khokhlov E.Allahyarov P.Komarov S.Egorov Coffee Confinements S.Nechaev R.Messina A.Skvortsov V.Rostiashvili Lunch Research on computer simulations of nanostructured systems in Moscow State University Nanocomposite ionomer membranes with directed proton conductivity Structure and temperature properties of nanocomposites based on PI/SiO2: Atomistic modeling Adsorption/Expulsion of oligomers and linear macromolecules in polymer brush Beneath the KPZ growth: From crevices in ballistic deposition patterns to discrete shocks in Burgers turbulence Statistics of adsorbed polymers under shear flow Analytical theory of finite-size effects in mechanical desorption of a single chain Adsorption and detachment of a single polymer under tension: some exotic phase transition

Simulation Strategies D.Theodorou Simulation strategies for addressing the long-time properties of polymer melts and glasses A.Likhtman Microscopic definition of entanglement D.Andrienko Multiscale description of charge transport in conjugated polymers


15:10-15:40 15:40-17:20 30 min. 30 min. 20 min. 20 min. 18:00

Coffee Methodic Developments W.Briels Can single particle models describe the dynamics of polymer melts and solutions? M.MЭller Measuring free energies of self-assembled structures by computer simulation M.Oettel Density Functional Theory for hard colloids: Some aspects of freezing and depletion effects M.Villet Beyond mean field: New tools for field-theoretic simulation Culture programme

Wednesday, June 2
Session 3 9:00-10:30 Single Chain Properties and Different Related Topics 30 min. K.Binder Standart definitions of persistence length do not describe the local "intrinsic" stiffness of real polymer chains 20 min. M.Tamm Zigzag model and the KPZ equation in (2+1)D 20 min. A.Subbotin Bending elasticity of 2D molecular bottle-brush 20 min. V.Avetisov Ultrametric diffusion approach to multi-scale modeling of fluctuation-induced protein mobility 10:30-11:00 Coffee 11:00-12:30 Copolymers 30 min. S.Kuchanov New trends in the Weak Segregation Limit (WSL) theory of loopless copolymers 20 min. U.Nagpal Predictions of block copolymer morphology for lithographic application using Monte Carlo simulations 20 min. I.Potemkin Designed AB copolymers as efficient stabilizers of colloidal particles 20 min. A.Chertovich DPD simulations of copolymer melts 12:30-14:00 Lunch Session 4 14:00-15:30 Semiflexible Polymers 30 min. E.Frey Conformation and dynamics of semiflexible polymers 20 min. M.Bachmann Statistical analyses of conformational transitions for small polymers 20 min. S.Stepanow Short chain expansion, distribution function with fixed orientation of one end, and adsorption onto an interface of a wormlike chain 20 min. V.Ivanov Computer simulations of phase behavior of solutions of semiflexible macromolecules in a thin film confinement 15:30-16:00 Coffee 16:00-19:00 Poster Session 19:00 Conference Dinner


Thursday, June 3
Session 5 9:00-10:30 30 min. 20 min. 20 min. 20 min. 10:30-11:00 11:00-12:30 30 min. 20 min. densities 20 min. 20 min. 12:30-14:00 Session 6 14:00-15:30 30 min. 20 min. 20 min. 20 min. 15:30-16:00 16:00-17:30 30 min. 20 min. 20 min. 20 min. 18:00 Polymer Melts and Biopolymers H.Meyer Static and dynamic bond-correlations in entangled bead-spring melts A.Arnold Flexible polymers in confinement: how can bacteria segregate their DNA? N.Severin Rupture of DNA molecules under tensile stress Yu.Krupyanskii Folding of lysozyme-like copolymer at the presence of chemical chaperone TMAO Coffee Networks, Stars, Brushes J.-U.Sommer Theory and simulation studies of order parameters in dry and swollen polymer networks Yu.Gotlib The theory of the relaxation spectrum in polymer networks: Intra- and interchain network motions at different cross-link A.Merkurieva P.Theodorakis Lunch Conformations of polymer stars combining hydrophobic and hydrophilic features Molecular Dynamics Simulations of Bottlebrush Polymers under Poor Solvent Conditions

Polyelectrolytes and Related Topics T.Birshtein Core - crown conformations in polyelectrolyte stars S.Lyulin Simulation of hyperbranched polymers in complexes with linear polyelectrolytes A.Rabinovich Structure and properties of polyunsaturated phosphatidylcholine bilayers: Molecular dynamics simulation E.Zheligovskaya The role of the surface layer of water in self-organization of polymer systems Coffee Copolymers and Single Chains I.Erukhimovich On the microscopic theory of microphase separation in two-component bottle brushes H.-P.Hsu Structure analysis of molecular bottle-brushes in a good solvent: Simulation and experiment K.Daoulas Structure formation in supramolecular copolymers: a DFT based Monte Carlo approach V.Vasilevskaya Self-organization of amphiphilic macromolecules. Culture Programme

Friday, June 4
Session 7 9:00-10:30 Hydrodynamics and Transport 30 min. M.MЭser The role of geometry and chemical detail for slip boundary condition of polymers near adhesive walls 30 min. V.Mavrantzas Quantifying chain reptation in entangled polymer melts: Topological and dynamical mapping of atomistic simulation results onto the tube model 30 min. R.Winkler Mesoscale hydrodynamic simulations of polymers in external fields


10:30-11:00 11:00-12:30 30 min. 20 min. 20 min. 20 min. 12:30-14:00 Session 8 14:00-15:30 30 min. 20 min. 20 min. 20 min. 15:30-16:00 16:00-17:30 30 min. 20 min. 20 min. 20 min. 18:00

Coffee Single Chains A.Milchev A.Polotsky W.Paul P.Virnau Lunch

DNA ejection from a Nanopore: Theory and Experiment Mechanical unfolding of a homopolymer globule: Theory and self-consistent field modeling Protein thermodynamics of a homopolymer chain Entanglements in globular polymer phases

Dynamics of Polymer Systems V.Lobaskin Modelling of polymer dynamics under shear J.Farago Mode-coupling approach to the subdiffusive early stage of polymer diffusion in a melt E.Govorun Slow mode in the dynamics of polymer solutions Ya.Kudryavtsev Interdiffusion in polymer blends with polydisperse components Coffee Polyelectrolytes A.Darinskii Microstructure of complexes formed by charged bottle-brushes and linear polyelectrolytes: Computer simulation F.Schmid Coarse-grained simulations of molecular transport in microchannels I.Neelov Mechanical stretching of coiled ­coil proteins.Computer simulation G.Freeman Exploring DNA confinement via coarse-grain molecular simulation Culture Programme

Saturday, June 5
Session 9 9:00-10:10 30 min. 20 min. 20 min. 10:10-10:40 10:40-11:30 30 min. 20 min. 11:30 11:45-13:00 13:00 Polymer Melts and Solutions A.Semenov Theory of long-range correlations in glass-forming polymer liquids L.Spirin MD simulations of brush-like systems with soft colloids C.-C.Huang Mesoscale simulation of semidilute polymer solutions Coffee Methodic Development T.Schilling Computing absolute free energies of disordered structures L.Manevich The concept of limiting phase trajectories and transition "delocalization ­ localization" in oligomer chains Closing Lunch Culture Programme


Sunday, June 6
9:00 Culture Programme Preliminary list of poster presentations (more posters from Russian PhD students and students are expected): 1) He S. Polyelectrolyte brushes: MD simulations and SCF theory 2) Berezovska G. Monte Carlo Study of Semiflexible Star-Branched Polymers in Good Solvents 3) Bezkorovaynaya O. Conformational Sampling with Coarse-Grained Peptide Models 4) Dolgushev M. Dynamics of semiflexible tree-like networks 5) Gribova N. Colloids confined in a slit pore: from 2D to 3D behaviour 6) Lyubimov I. Rescaling the accelerated dynamics from MD simulation of coarse-grained polymer melts 7) Komarov P. Simulations of Morphology Development forWater-Containing Sulfonated Poly(Ether Ether Ketone) Membranes 8) Lukyanov A. Influence of system size on simulated charge mobility in amorphous films of tris(8-hydroxyquinolinato)aluminium (Alq3) 9) Severin N. Graphenes on mica 10) Naumenkova T. Molecular Dynamics of Natural Biologically Active Short Peptides: Investigating Crusial Features of Secondary Structure in Different Environments 11) Neratova I. Solvent-regulated morphologies of block copolymer films 12) Popova H. Phase transitions of folding, anomalous diffusion and adsorption kinetics of polymerized membranes 13) Tretyakov N. Statistical properties of polymer films on a substrate 14) Trukhina Yu. Monte Carlo simulation of hard spherocylinders under confinement 15) Winkler A. Monte Carlo simulations of colloid-polymer mixtures in cylindrical confinement 16) Bayani B. Influence of location and interaction on quantumtunneling 17) Vogel T. Conformational phase diagram for polymers adsorbed at ultrathin nanowires 18) Larin S. Interpolyelectrolyte complexes formed by two stars and linear polyelectrolyte: effects of polyelectrolyte chain length and star topology 19) Glagolev M. Physical gels composed of macromolecules with helix secondary structure 20) Glagoleva A. Adsorption of amphiphilic macromolecules 21) Ermilov V. Self-organization of chiralic amphphilic macromolecules 22) Krotova M. Interpolymer polyelectrolyte complexes: theory and computer modelling 23) Gavrilov A. DPD simulation of multiblockcopolymers microphase separation 24) Kikot I. New coarse-grain model for analysis of localized nonlinear excitations in DNA 25) Guseva D. Macromolecular reactions in incompatible blends: computer simulation 26) Polynsky M. Reversible polycondensation of inhomogeneous system: DPD computer simulation