on the Statistical Mechanics of Liquids

Weeks J. D. | Solvation thermodynamics and structure in simple liquid mixtures and aqueous solutions |

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 |

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 |

- 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.

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 |

- 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).