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Home Mol. Phys. Issue Posters Venue Photos List of Participants Program

Eighth Liblice Conference
on the Statistical Mechanics of Liquids

PRELIMIBNARY PROGRAM SCHEDULE

SUNDAY       
14.00-19.30registration      
        
20.00-20.10Opening address      
20.10-21.00J. P. HANSEN (Mol. Phys. Lecture)    
21.00-23.00SOCIAL MIXER      
        
MONDAY TUESDAY WEDNESDAY THURSDAY 
        
 SESSION I SESSION IV SESSION VI SESSION IX
chairK. E. GubbinschairF. SciortinochairP. RosskychairA. Luzar
8.30-9.20G. VOTH8.30-9.20S. GLOTZER8.30-9.20F. SCIORTINO8.30-9.20P. ROSSKY
9.20-9.40D.Gillespie9.20-9.40P. Debenedetti9.20-9.40M. Mazza9.20-9.40R. Lynden-Bell
9.40-10.00M. Sega9.40-10.00J. Dyre9.40-10.00S. Grandner9.40-10.00M. Berkowitz
10.00-10.20A. Klamt10.00-10.20G. Karlstrom10.00-10.20G. Kahl10.00-10.20R. Henchman
10.20-10.50coffee10.20-10.50coffee10.20-10.50coffee10.20-10.50coffee
        
 SESSION II SESSION V SESSION VII SESSION X
chairJ. P. HansenchairG. VothchairM. S. ShellchairN. Wilding
10.50-11.40N. WILDING10.50-11.40G. CICCOTTI10.50-11.40A. GARCIA10.50-11.40L. GELB
11.40-12.00Ch. Outhwaite11.40-12.00A. Striolo11.40-12.00M. Jorge11.40-12.00N. Almarz
12.00-12.20D. Boda12.00-12.20E. Maginn12.00-12.20B.Laird12.00-12.20P. Cifra
12.20-12.40M. Jardat  12.20-12.40G. Jackson12.20-12.40A. Patrykiejew
  12.30lunch    
13.00lunch  13.00lunch13.00lunch
        
  13.30CONFERENCE     
   EXCURSION (vineyards and wine degustation)   SESSION XI
     chairW. R. Smith
18.00dinner  18.00dinner15.00-15.40P. MONSON
  19.30dinner  15.40-16.00Wei Dong
 SESSION III   SESSION VIII16.00-16.20K. E. Gubbins
chairL. Gelb  chairG. Jackson16.20-16.50coffee
19.30-20.20M. S. SHELL20.30-22:30POSTER SESSION*19.30-20.20A. LUZAR16.50-17.10D. Laria
20.20-20.40E. Muller  20.20-20.40P. Jedlovszky17.10-17.30M. Schoen
20.40-21.00break  20.40-21.00break17.30-18.00D.  HENDERSON
21.00-21.20D. Kofke  21.00-21.20N. Quirke18.00closing remarks
21.20-21.40S. Sokolowski  21.20-21.40C. Vega  
21.40-22.00T. Lafitte  21.40-22.00E. Noya19.00-24.00BANQUET
*Posters will be on display from Monday afternoon till Thursday afternoon.
During the Poster Session the authors are supposed to be available for discussion at their poster(s).

LIST OF ORAL PRESENTATIONS

Keynote talks:

Giovanni CiccottiTechniques for rare events
Angel GarciaCalculation of the pressure and temperature stability diagram of a protein by molecular dynamics simulations
Lev GelbPhase transitions, thermodynamics and solubility in polyomino fluids
Sharon GlotzerSelf-assembly and packing of tetrahedra
Jean-Pierre HansenWetting and drying scenarios of ionic solutions
Alenka LuzarNanoconfined water under electric field
Peter MonsonModeling dynamics of capillary condensation and evaporation
Peter RosskyProtein hydration
Francesco SciortinoPatchy colloids studied with primitive models
M. Scott ShellMultiscale modeling and analysis using the relative entropy
Gregory VothMultiscale coarse-graining of complex liquids
Nigel WildingFreezing transition and crystalline phases of polydisperse spheres

Contributed papers:

Noé AlmarzaLattice gas models of simple systems with complex phase behavior
Max BerkowitzHydration force acting between model hydrophilic surfaces.
Dezso BodaIs the primitive model of electrolytes a good model to reproduce the mean activity coefficient of electrolytes?
Peter CifraShape transition in semiflexible biomacromolecules confined in a channel and in a cavity
Pablo DebenedettiThermodynamic and kinetic models of chiral amplification
Wei DongScaled particle theory for a hard-sphere fluid confined in different model matrices
Jeppe Dyre"Isomorphs" in liquid phase diagrams
Dirk GillespieAn efficient algorithm for density functional theory of fluids in three dimensions for charged, hard sphere fluids
Stefan GrandnerImpact of charged confining substrates on the structure formation in colloidal solutions
Keith GubbinsTBA
Richard HenchmanPotential energy surface and free energy of aqueous solutions
Douglas HendersonUnderstanding liquids
Marie JardatInfluence of small ions on protein-protein and protein-DNA interactions
Pal JedlovszkyStructure of coexisting liquid phases of supercooled water
Miguel JorgeA critical assessment of methods for the intrinsic analysis of liquid interfaces
George JacksonThe invalidation of the virial route to the surface tension of nanoscale fluid drops due to fluctuations in the free energy
Gerhard KahlSingle-particle and collective slow dynamics of colloids in porous confinement
Gunnar KarlströmRetardation effects breaking long-range structural ordering in dipolar fluids
Andreas KlamtCOSMO-RS: From quantum chemistry to liquid phase thermodynamics
David KofkeAdvances in the calculation and application of cluster integrals for fluid properties prediction
Thomas LafitteModelling the anomalies in the thermodynamic properties of water with associating Mie segments of variable repulsive/attactive range
Brian LairdCalculation of interfacial free energies from atomistic simulation with Gibbs-Cahn integration
Daniel LariaPolar mixtures under nanoconfinement
Ruth Lynden-BellHydrophobic phenomena in water: the contributions of network structure, hydrogen bond strength and density
Edward J. MaginnA Molecular Simulation Study of the Structure and Dynamics of Chemically Functionalized Ionic Liquids
Marco MazzaReentrant nematic phases in confinement
Erich MulerA new paradigm in developing models for use in molecular simulations of complex fluids: The top-down coarse- graining approach, from equation of state to simulation energy
Eva NoyaQuantum effects in liquid water and the ice phases: the path to a new empirical model for water
Christopher OuthwaiteThe planar electric double layer at and near zero surface charge for a restricted primitive model electrolyte
Andrzej PatrykiejewFreezing and demixing in two-dimensional symmetrical mixtures
Nick QuirkeThe interaction of nanomaterials with water
Martin SchoenSorption-induced deformation of mesoporous materials
Marcello SegaThe problem of sugar puckering in molecular dynamics simulations
Stefan SokolowskiMicroscopic structure and thermodynamics of a core-softened model fluids
Alberto StrioloGraphene sheets-oil nanocomposites: Equilibrium and transport properties from molecular simulation
Carlos VegaSuccesses and failures in the description of water when simulating simple models

INFORMATION FOR AUTHORS:

  • It is assumed that all oral presentations will be in the form of *.ppt (PowerPoint) or *.pdf (AdobeAcrobat) files, stored either on a CD or a flash-disk.
  • Be sure that your CD or flash-disk works properly under a Windows O/S.
  • NO USE OF PRIVATE NOTEBOOK COMPUTERS WILL BE ALLOWED (OR POSSIBLE).
  • An (oldstyle) overhead projector will only be available upon an advance request.

POSTER SESSION

  • Only the first (presenting) author is listed.
  • Please respect the ordering and the number(s) assigned to your poster(s) when mounting it (them).

List of posters:


1Ashton, D.Simulation of highly size-asymmetric fluids through an expanded grand

canonical ensemble

2Autieri, E.Coarse grained simulations of functionalized hyaluronic acid hydrogels

3Ayadim  , A.Structure of a confined mixture of non-additive hard-spheres from the

generalized fundamental measure functional

4Baranyai, A.Clusters of classical water models

5Baranyai, A.A transferable classical potential for the water molecule

6Boda, D.The adaptive Grand Canonical Monte Carlo algorithm to determine individual

ionic chemical potentials in electrolytes

7Boda, D.How to drive an ion through a sharp dielectric boundary in a computer

simulation?

8Borowko, M.Adsorption of short chains and their mixtures with spherical molecules on

surfaces modified with end-grafted polymers

9Botan, A.Two-phase flow in porous media from molecular simulation

10Boublik, T.Density profiles in inhomogeneous systems: Hydrogen near a graphite wall and

in a tube

11Brennan, J.Mesoscale modeling of dynamic response: Constant-energy dissipative

particle dynamics simulations

12Brunet, Ch.Effect of an electric field on confined fluids of polarizable particles: Slab

adapted 3-D Ewald-summation for Monte Carlo simulation

13Bryk, P.Critical wetting for short range forces revisited. New results of monte carlo

simulations.

14Darvas, M.Computer simulation study of the transfer of simple and composite ions

through water/organic interface

15Darvas, M.Adsorption and aggregation of oxalic acid on ise surface: Computational study

of atmospheric aerosol formation and cloud condens

16Desbiens, N.Evaluation of the accuracy of the KLRR theory and treatment of mixtures

17Dominguez, H.Computer simulations for the liquid-liquid coexistence curve in the

perfluorohexane-heptane system

18Dopazo-Paz, A.Ability of three additive pair-wise intermolecular potentials based on the rigid

molecule approximation to describe the methanol

19Doppelbauer, G.Self-assembly scenarios of patchy colloidal particles

20Fartaria, R.Density minimum in the isotropic-nematic transition of hard cut-spheres

21Francova, M.Bubble- and dew-point computer simulation of multicomponent mixtures with

application to refrigeration cycles

22Gallardo, A.Modeling and simulation of adsorption in pillared interlayered clays

23Garrido, N.Optimization of free energy calculations based on number of intermediate

steps and simulation lengths analysis

24Gazzillo, D.Dipolar sticky hard spheres within the Percus-Yevick approximation plus

orientational linearization

25Gelb, L.First-principles Monte Carlo simulations of elemental fluid phase equilibria

26Ghatee, M. H.The extent of molecular orientation at liquid/vapor interface of polar liquids by

molecular dynamics simulation

27Ghatee, M. H.Molecular dynamics simulation of graphite and electroanalytical recognized

binders: Ionic liquid and conventional paraffine binders

28Gillespie, D.A density functional theory of ions at a dielectric interface

29Godec, A.Topology and statistics of density fluctuations in liquid water

30Gomez Alvarez, P.MC simulations of methanol in gas phase. Structural and thermodynamic

analysis using the two-state concept

31Gonzalez-Salgado, D.Solid-solid and solid-liquid equilibria of the OPLS model of methanol

32Greschek, K.Self-assembled structures of rodlike colloids in confinement

33Hantal, G.Grand Canonical Monte Carlo study of the adsorption properties of acetone,

formaldehyde, formic acid and methanol on ice surface

34Horsch , M.The air pressure effect on the homogeneous nucleation of carbon dioxide by

molecular simulation

35Jaeger, S.Colloidal suspensions of magnetic particles in time-dependent external fields

36Jedlovszky, P.A new method for determining the interfacial molecules and characterizing the

surface roughness in computer simulations.

37Jedlovszky, P.Molecular aggregates in the aqueous solutions of bile acid salts. A molecular

dynamics simulation

38Jirsak, J.On the stability limit of liquid water

39Kantorovich, S.Structural transitions in magnetic fluids: Theory and computer simulations

40Kolafa, J.Hydrogen-bond defect in the structure of ice lh

41Kosovan, P.Diffusion of a tracer particle in the polymer network of a hydrogel

42Krejci, J.EXP6 fluids at extreme conditions modeled by 2-Yukawa potential

43Lamperski, S.The individual activity coefficients of a solvent primitive model electrolyte

calculated from the Inverse grand canonical Monte Carlo

44Lichtner, K.Dynamics of ferromagnetic colloidal particles in confined geometries

45Matas, K.MD simulation of water evaporation retardation

46Melnyk, R.Structure and thermodynamics of EXP6 fluid: Augmented van der Waals theory vs computer simulations.

47Namayandeh Jorabchi, M.Self-assembled ordered structures on solid substrate

48Neitsch, H.Event-driven simulation of spherical colloids with ultra short-ranged attractive interactions in a slit-pore geometry

49Nieto-Draghi, C.Rheological behaviour of diesel fuels at extreme conditions: Compositional

analysis, experimental measurements and molecular dynamics

50Predota, M.Non-equilibrium molecular simulations of the solid-liquid interface

51Papaioannou, V.Predicting the vapour-liquid and liquid-liquid phase behaviour of aqueous

solutions with the SAFT-gamma group contribution approximation

52Petrus, P.Lamellae formation in DPD simulations of diblock copolymers: Effect of

lamellar orientation on layer spacing

53Pineiro, M. M.Determination of interfacial properties of the water + methane mixture under

slab confinement using Monte Carlo simulation

54Posel, Z.Scaling laws for polymers in dissipative particle dynamics revised

55Preisler, Z.Branched polymers in pores

56Prochazka, K.Persistence length of semiflexible polyelectrolytes

57Rodriguez, J.Coaxial cross-diffusion through carbon nantoubes

58Rodriguez, J.Polar mixtures under nanoconfinement

59Rosenthal, G.Ordering of amphiphilic particles at a hard wall

60Rutkai, G.Dynamic Monte Carlo simulation in ion channels

61Rzysko, W.Phase diagrams for dimers built of Lennard-Jones segments

62Schmidle, H.Liquid-gas phase transition in a ferrofluid monolayer in an external field

63Scholl-Paschinger, E.Computer simulation of self-assembly and crystallization of proteins

64Schreckenberg, J.Aqueous electrolyte solutions modelled with SAFT-VRE: Predictions of global

phase behaviour and the influence of salt on the liquid

65Singh, J.Self assembled monolayer of alkanol on mica surface: A molecular dynamic

66Skvor, J.Percolation line and response functions in simple supercritical fluids

67Stenhammar, J.Nondielectric long-range solvation effects in molecular simulations of polar

68Striolo, A.Potential of mean force between aqueous single walled carbon nanotubes in

surfactant solutions

69Striolo, A.Aqueous solutions on silica surfaces: Structure and dynamics from simulations

70Sumi, T.A mechanism of high-pressure unfolding of proteins: a formation of interfacial

high-density hydration shell

71Trokhymchuk, A.Fluids at extreme conditions

72Troncoso, J.Behavior of the isobaric thermal expansivity against temperature and pressure

for fluids

73Trulsson, M.Stockmayer fluids and SPC/E water in hyperspherical geometry

74Uhlik, F.A coarse-grained model of DNA

75Viererblova, L.Reparameterization of the four-site polarizable water model

76Zacharoudiou, I.Viscous fingering in the complete wetting regime

77Henderson, D.Charged hard sphere solidification

78Leroch, S.Adsorption from dilute solutions and forces between nanoparticles

INFORMATION FOR AUTHORS:

  • Available area (poster size): 90cm (width) x 130cm (height)
  • Pins provided
  • USE OF ANY ADHESIVE NOT ALLOWED