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Tenth Liblice Conference
on the Statistical Mechanics of Liquids

MOLECULAR PHYSICS LECTURE:

Weeks J. D.

Solvation thermodynamics and structure in simple liquid mixtures and aqueous solutions

INVITED KEYNOTE TALKS:

Archer A.	Liquid drops on a surface: using density functional theory to calculate the binding potential and drop profiles, and comparing, with results from mesoscopic modelling
Frenkel S.	Molecular Simulations: The Good, the Bad and the Ugly
Likos Ch.	Self-assembly of soft colloids beyond the pair potential approximation
Michealides A.	Cold water and ice: Insights from computer simulations
Santiso E.	Molecular modeling of crystal nucleation from the melt and from solution
Shell S.	Coarse-grained models of liquid state physics designed by the relative entropy
Scortino F.	Colloidal models with water-like behaviors: The liquid-liquid critical point and the re-entrant spinodal Speedy scenario
Siepmann I.	Development of transferable force fields for phase and sorption equilibria
Vega C.	Salts in water. Solubility, models and nucleation
Stark H.	Emergent collective dynamics of spherical microswimmers
Wu J. Z.	Classical and quantum billiards in liquid-state theory

COMPLETE LIST OF ORAL CONTRIBUTIONS

D. Toneian, R. Blaak, G. Kahl, C. N. Likos	In- and Out-of-Equilibrium Properties of Magnetic Star Polymers
S. Consta	Toward the understanding of the stability of non-covalent complexes of macromolecules in droplets and bulk solution
M. Klíma, J. Kolafa	Direct molecular dynamics simulation of nucleation during supersonic expansion of gas to vacuum
F. Uhlík	Hybrid Monte Carlo Simulations of Polymers
M. Předota, D. Biriukov, M. Machesky, D. Wesolowski	Molecular simulations of electrokinetic phenomena
M. Bley, M. Duvail, P. Guilbaud, J.-F. Dufreche	Molecular Simulation of Phase Diagrams from the Osmotic Equilibrium Method: Vapor Pressure and Activities in Complex Solutions
C. Nieto-Draghi, B. Rousseau	Modeling aqueous electrolyte solution by coarse grained simulations
L. Fu, S. Merabia, L. Joly	Understanding the effect of wetting on thermo-osmosis using molecular dynamics
P. Jedlovszky, M. Sega, L. Nyulászi, G. Horvai	Geometry in liquid structures
D. Boda, D. Fertig, E. Mádai, Z. Ható, M. Valiskó, T. Kristóf, D. Gillespie	Simulating ion transport through nanopores: from molecular models to device functions
L. Wu, H. Sun	Phase Behaviour and Dynamics of Thermotropic Cholesteric Liquid Crystals
A. Patrykiejew	Wetting of non-selective and selective walls by highly non-additive symmetric mixtures
L. Baran, M. Borówko, W. Rżysko, S. Stefan	Self-assembly of adsorbed Janus particles forming monolayers and adsorbed in slit-like pores: molecular dynamic studies.
V. Ryzhov, Y. Fomin, E. Tsiok	Melting scenarios and unusual crystal structures in two-dimensional core-softened systems
M. Vasin	Description of glass transition as topological phase transition in frustrated system
Z. Benková, L. Rišpanová, P. Cifra	Semiflexible macromolecules confined in an array of cylindrical nanoposts
F. Merzel, F. Avbelj	Why do water molecules around small hydrophobic solutes form stronger hydrogen bonds?
C. A. Cerdeirina, D. González-Salgado, H. E. Stanley	An Ising Model Approach to Understanding Water's Unusual Thermodynamics
E. Noya	Design of patchy colloid models that assemble into complex ordered structures
P. Llombart, D. N. Sibley, E. G. Noya, A. J. Archer, L. G. MacDowell	Water droplets on ice
Y. Kalyuzhnyi	Explicit-water theory for the salt-specific effects and Hofmeister series in protein solutions
K. Trachenko	New understanding of collective modes and thermodynamics of the liquid state
M. Sweatman	Giant SALR clusters: reproduction and adsorption at interfaces
A. Milne	Polarisation and the Hydration Free Energy of Water
J. Higham, S.-Y. Chou, F. Grater, R. Henchman	Entropy of Liquids Computed from Force-Torque Covariance and Contacts
M. Tortora, J. Doye	The origins of phase chirality in lyotropic cholesteric liquid crystals
C. Williams, P. Carbone, F. Siperstein	Understanding the Structure and Ion Selectivity of Graphene Oxide Membranes using Molecular Simulation
S. Ravipati, A. Haslam, A. Galindo, G. Jackson	Coarse-grained fluid-solid potentials for heterogeneous surfaces using free-energy-averaged mapping
P. Yatsyshin, A. O. Parry, C. Rascon, M. A. Duran-Olivencia, S. Kalliadasis	Phase transitions on fluid interfaces and bulk. Equilibtium and dynamic studies using classical density functional theory
V. P. Sokhan, F. S. Cipcigan, J. Crain, G. J. Martyna	Quantum Drude oscillator: electronic coarse-graining route to predictive modelling
D. Corbett, A. Patti, A. Cuetos	Dynamic Monte Carlos simulations of out-of-equilibrium colloidal liquid crystals.
J. R. Elliott, S. V. Ramana, A. Schultz	Inference of an Infinite Order Thermodynamic Perturbation Theory
A. Panagiotopoulos, H. Jiang, J. Young	Free energies, solubilities, and nucleation rates of aqueous electrolyte solutions
B. Laird, H. Hansen-Goos, R. L. Davidchack	Curvature dependence of interfacial free energy: Deviations from morphometric thermodynamics
V. Varshavskiy, D. Ford, P. Monson	On the mechanical stability of the body-centered cubic phase and the emergence of a metastable cI16 phase in classical hard sphere solids
W. Lin, A. Goyal, S. Moustafa, A. Schultz, D. Kofke	Mapped averages: Reformulation of statistical mechanical ensemble averages using coordinate mapping
P. Debenedetti	Computational investigation of the relationship between folding and chirality in model polypeptides
R. Manichetti	Computational high-throughput screening of drug permeation through biological membranes
M. Jorge	Multiscale Model for the Synthesis of Bioinspired Porous Silica Materials
P. Malani	Adsorption of Ions at Solid-Liquid Interface: Role of Ion Hydration Structure and Energies
M. Lisal	Surface Structure and Surface Tension of Ionic Liquids as Seen from Molecular Dynamics and Rutherford Backscattering Spectroscopy

INFORMATION FOR AUTHORS:

• It is assumed that all oral presentations will be in the form of *.ppt(x) (PowerPoint) or *.pdf (AdobeAcrobat) files, stored either on a CD or a flash-disk.
• NO USE OF PRIVATE NOTEBOOK COMPUTERS WILL BE ALLOWED (OR POSSIBLE).
• The provided PC runs under WINDOWS-10 with MS Office 2016.
• Be sure that your CD or flash-disk works properly under Windows O/S.

PROGRAM STRUCTURE

LIST OF POSTERS (in the alphabetical order with only the corresponding author listed)

1	Beránek	Pavel	Effect of blockiness and monomer sequence on self-assembly of gradient copolymer melt
2	Boda	Dezső	Intercalation properties of kaolinite from molecular simulations
3	Borowko	Malgorzata	Mono-tethered nanoparticles at solid sufraces
4	Brazhkin	Vadim	Dynamical crossover in supercritical fluids: theoretical background and experimental evidences
5	Ciach	Alina	Combined density functional and Brazovskii theories for systems with spontaneous inhomogeneities
6	Ciach	Alina	Simple theory for oscillatory charge profile in ionic liquids near a charged wall
7	Dreher	Thibaud	Computing the solid/liquid surface tension for anisotropic systems using atomistic simulations
8	Eller	Johannes	Molecular transport in confined media utilizing dynamic density functional theory
9	Fábián	Balázs	Ammonia Clathrate Hydrate As Seen from Grand Canonical Monte Carlo Simulations
10	Fábián	Balázs	Single Particle Dynamics at the Intrinsic Surface of Various Liquids
11	Fertig	David	Modeling a nanofluidic transistor: controlling ionic currents by changing the charge pattern on the wall of the nanopore
12	Figueroa-Gerstenmaier	Susana	Olefin/paraffin separation using a membrane of syndiotactic polystyrene membrane
13	Fomin	Yury	Anomalously high heat capacity of core-softened liquids
14	Gebhardt	Julia	Prediction of activity coefficients for solvent mixtures from molecular dynamics simulations
15	Gotlib	Igor	Molecular dynamics simulation of solutions of cross-associating chains: inactive spacers’ effect on thermodynamics and kinetics of association
16	Haji-Akbari	Amir	Jumpy FFS: A Generalized Forward-Flux Sampling Algorithm for Studying Aggregation Phenomena
17	Hantal	Gyorgy	Chemistry and water dynamics at the surface of hydrated magnetite
18	Hantal	Gyorgy	Dissolution mechanism of simple sugars in water and ionic liquids
19	Huerta Hernández	Adrián Arturo	Caging of hard disk fluid confined to quasi 1D
20	Jasiok	Bernadeta	A Fluctuation Equation of State for Prediction of High-Pressure Speed of Sound
21	Jedlovszky	Pal	Investigation of problems related to the lateral pressure profile
22	Jirsák	Jan	Binding of ibuprofen enantiomers to ß-cyclodextrin: calculation of potentials of mean force along dissociation of inclusion complexes using umbrella sampling
24	Kahl	Gerhard	Novel hybrid crystal-liquid phase formed by heterogeneously decorated colloidal particles
25	Kahl	Gerhard	The polymorphic plethora of Wigner bilayer systems
26	Kalyuzhnyi	Yurij	Controlling the viscosities of antibody solutions through control of their binding sites
28	Kopanichuk	Ilia	Electrical properties of reverse AOT micelles with and without salts by molecular dynamics simulations
29	Lemarchand	Claire	Test of the "radical-like polymerization" scheme in molecular dynamics on the structural and dynamical properties of polymers
30	Lindeboom	Tom	Coarse-grained SAFT force fields for the study of biologically relevant systems
31	Llombart Gonzalez	Pablo	Adsorbed aggregates on gold nanoparticles determine their size.
32	Mádai	Eszter	Monte Carlo simulation of a model nanopore sensor: device behavior emerging from ion competition
33	Malani	Ateeque	Multiscale Simulation Studies of CO2 Separation and CH4 Storage in Two Dimensional (2D) Covalent Organic Framework (2D-COF) Nanoporous Materials
34	Millot	Claude	Structural and Dynamical Properties of Water at High Pressure. Molecular Dynamics Simulations with the BK3 Model
35	Moučka	Filip	Ion-ion interaction models for NaCl yielding accurate density, chemical potential, and good mechanical properties of the crystalline phase
36	Nieto-Draghi	Carlos	Calculation partition coefficients of complex molecules by combining DPD with a Monte Carlo method
37	Parez	Stanislav	Granular Mechanics
38	Pękalski	Jakub	Self-assembly of nanoparticles on a surface of a microdroplet
39	Prokacheva	Varvara	The core-shell structure of comb-like polyelectrolytes
40	Předota	Milan	Adsorption of oxalic acid on rutile surfaces
41	Předota	Milan	Application of Electronic continuum correction for modelling of solid-liquid interactions using scaled charges
42	Punnathanam	Sudeep	Study of crystal nucleation from solution and solvent induced polymorphism of Orcinol
43	Radhakrishnan	Ravi	Incorporation of Hydrodynamic Interactions in Dynamical Density Functional Theory for Suspensions in Flow and Confinement
44	Rajasekaran	M.	Interfacial water dynamics on graphene oxide surface
45	Rehner	Philipp	Curvature dependence of interfacial properties with non-local density functional theory and PC-SAFT
46	Rispanova	Lucia	Behavior of a block copolymer composed of flexible and semiflexible blocks confined in an array of nanoposts
48	Rzysko	Wojciech	Self-assembly of nanodisks with tethered diblock copolymers on surfaces
49	Santiso	Erik E.	Molecular modeling of crystal nucleation from the melt and from solution
50	Singh	Jayant	Nucleation of Aqueous Salt Solutions on Solid Surfaces
51	Sizova	Anastasia	Molecular simulations of CO2/CH4 and CO2/N2 mixed hydrates
52	Skutnik	Robert	Defect topologies in chiral blue phases confined to spherical cavities
53	Sliwinska-Bartkowiak	Malgorzata	Structure of ice confined in nanopores; X-ray (WAXS) and neutron diffraction (ND) studies
54	Stierle	Rolf	Interface Analysis of Droplet Coalescence via Dynamic Density Functional Theory
55	Svoboda	Martin	Modelling Aqueous Dissolution of Sodium Chloride in Clays at Thermodynamic Conditions of Hydraulic Fracturing by Molecular Dynamics
56	Škvára	Jiří	Separation of racemic mixtures: Molecular dynamic study
57	Trokhymchuk	Andrij	Excluded volume and its temperature dependence
58	Trokhymchuk	Andrij	Statistical mechanics of aggregation in anisotropic solvents: kinetic energy of aggregates and universal power-law behavior far from criticality.
59	Trokhymchuk	Andrij	Statistical field theory of liquids: Novel expression for the grand partition function of a system with short and long-range interactions
60	Tsiok	Elena	New melting scenario of Hertzian disks system induced by random pinning
61	Valiskó	Mónika	How can we turn a selective nanopore into a rectifying one (and vice versa) by changing the surface charge pattern?
62	Vanin	Aleksandr	Structure and electrostatic interaction of droplet-like micelles of nonionic surfactants in solutions
63	Veesam	Shivanand Kumar	Improving the robustness of the van der Waals and Platteeuw theory for gas hydrates
64	Vyalov	Ivan	3D-RISM Integral Equations for Electrochemical Applications
65	Williams	Christopher	Atomic characterisation of the electrolyte/graphene interface
66	Yang	Yang	Tension, Bending Modulus and Dielectric Polarization of Water Surfaces Near Electrodes

INFORMATION FOR AUTHORS:

• Poster dimensions: A0 [841 times 1189 mm], portrait orientation.
• Authors should mount their poster on Monday before the beginning of the evening session.
• When mounting your poster(s), please respect the ordering and the number(s) assigned to your poster(s).
• Use of any adhesive material is strictly prohibited; pins will be provided by the organizers.
• Remove your poster on Thursday afternoon (before the banquet).