Aim K.V. | Czech Republic | 1 | The equation of state for dipolar two-centre Lennard-Jones fluid revised for extended range of elongations |

Apol M.E.F. | The Netherlands | 2 | A temperature/electric field equation of state for water using the quasi-Gaussian entropy theory |

3 | Interparticle forces of powder systems evaluated by molecular dynamics simulations | ||

Baranyai A. | Hungary | 4 | Microstructure of water at the level of three-particle correlations |

Behal J. | Czech Republic | 5 | Polymer chains tethered by both ends to the inner wall of the cylindrical tube. A Monte Carlo study |

Benavides A.L. | Mexico | 6 | Gibbs ensemble simulation for square-well confined fluids |

7 | Molecular thermodynamics for water | ||

8 | Perturbation theory for fluids modelled with a variety of discrete potentials | ||

Blum L. | Puerto Rico | 9 | The electroreduction of hydrogen on Pt(111) |

Boda D. | Hungary | 10 | Monte Carlo simulation of the ion selectivity of model sodium channels in the isothermal Gibbs ensemble |

11 | Extrapolation of the vapour-liquid equilibrium curves using Gibbs ensemble Monte Carlo simulations | ||

Borowko M. | Poland | 12 | A nonuniversal critical behaviour of heteronuclear dimers on square lattice |

Boublik T. | Czech Republic | 13 | Colloidal limit and self-consistent equations of state |

Bourasseau E. | France | 14 | Optimisation of a new anisotropic united atoms intermolecular potential for olefines. Prediction of equilibrium properties |

15 | Prediction of equilibrium properties of cyclic alkanes by Monte Carlo simulation - new anisotropic united atoms intermolecular potential - new transfer bias method | ||

Brennan J.K. | USA | 16 | Effect of confinement in porous materials on chemical reaction kinetics |

Bryk P. | Germany | 17 | Fluids in contact with curved substrates |

Bryk T. | USA | 18 | Stability of water-ice interface: a molecular dynamics study of SPC/E model |

19 | Collective dynamics of binary liquids: fast sound vs. optic-like excitations | ||

Chen L.-J. | Republic of China | 20 | A theoretical study on wetting behavior of ternary water + oil + amphiphile mixtures |

Cifra P. | Slovakia | 21 | Partitioning of polymer chains in solution with a square channel |

Colina C.M. | USA | 22 | Accuracy of Joule-Thomson inversion curves by molecular simulation |

Dominguez H. | Mexico | 23 | Computer simulations of a mixture of amphiphilic molecules at water/oil interface |

Drossinos Y. | Italy | 24 | Translational-invariance correction to classical nucleation theory |

Egorov A.V. | Russia | 25 | Molecular dynamics simulation of phase transition in small water clusters with ions. The effect of the cluster size and the ion charge on the melting temperature |

Errington J. | USA | 26 | Relationship between structural order and the anomalies of liquid water |

Gazzillo D. | Italy | 27 | Colloidal suspensions of particles with surface adhesion: polydispersity effects on the structure factor |

28 | On the sticky limit of thermodynamic properties in adhesive hard sphere models for colloidal fluids | ||

Gestoso P. | Greece | 29 | Miscibility study of cis-1,4 polyisoprene/cis-1,4 polybutadiene blends by atomistic Monte Carlo |

Gloor G. J. | UK | 30 | Vapour-liquid interface of associating fluids. A SAFT-DFT approach for molecules with attractive potentials of variable range |

Gruhn T. | Germany | 31 | Molecular dynamic simulation of crystallization processes in hard sphere systems at constant pressure |

Havrankova J. | Czech Republic | 32 | Conformational behaviour of a miktoarm copolymer stars (A_{x}B_{f-x}) in diluted solutions. A Monte Carlo study |

Huber H. | Switzerland | 33 | D quadrupolar NMR relaxation times in a D_{2}O/DMSO mixtures calculated by molecular dynamics simulations in combination with quantum chemical calculations |

Jedlovszky P. | Hungary | 34 | Analysis of the structural and free energy properties of various phospholipid/cholesterol mixed membranes by computer simulations |

35 | Comparison of polarizable and nonpolarizable models of hydrogen fluoride in liquid and supercritical states | ||

36 | Investigation of the thermodynamic properties of a polarizable water model in a wide range of pressures around the temperature of its maximum density | ||

Jelinek K. | Czech Republic | 37 | A Monte Carlo and mean field study of the shell of hydrophobically modified amphiphilic block copolymer micelles |

Kahl G. | Austria | 38 | Criticality and phase behaviour of fullerenes |

39 | Multicriticality in simple fluids | ||

Kalyuzhnyi Y.V. | Ukraine | 40 | Equilibrium properties of the fluid of chain molecules. Product-reactant Ornstein-Zernike approach |

Kierlik E. | France | 41 | Fluids in aerogel: hysteresis and phase separation |

Kobelev V. | USA | 42 | Anisotropic lattice models of electrolytes |

Kolafa J. | Czech Republic | 43 | The bridge function of hard spheres by direct inversion of computer simulation data |

44 | Molecules dynamics of potential models with polarizability: Comparison of methods | ||

45 | Global phase diagram of the BMCSL-Dieterici equation of state | ||

Krienke H. | Germany | 46 | Molecular origin of chemical model calculations on McMillan - Mayer level of sodium chloride solutions in dioxane - water mixtures |

Labik S. | Czech Republic | 47 | Calculation of elementary diagrams using a Metropolis-like simulation method |

Lagache M. | France | 48 | Prediction of derived properties by Monte Carlo simulation |

49 | Intermolecular potential development by Monte Carlo simulation | ||

Laird B.B. | USA | 50 | Determinating the crystal-melt interfacial free energy by simulation |

Lopes J.N.C. | Portugal | 51 | Microphase separation in simple molecular mixtures |

Lisal M. | Czech Republic | 52 | Direct Monte Carlo for non-reacting and reacting systems at fixed total internal energy or enthalpy |

Lukac R. | Slovenija | 53 | Liquid crystal mixture films with Gay-Berne potential |

54 | Demixing of Gay-Berne mixtures | ||

55 | Computer simulations for improvement of chiral discrimination in HPLC | ||

Malijevsky A., jr. | Czech Republic | 56 | Chemical potentials of components of ternary mixtures using the SP-MC method |

57 | Computer simulations of structure and themodynamics of heavy real gases using three body potentials | ||

McCabe C. | USA | 58 | Thermodynamic properties of freely-jointed hard-sphere multi-Yukawa chain fluids: Theory and simulation |

Moravek P. | Czech Republic | 59 | Calculation of excess volumes of mixtures of molecular fluids using the OZ equation |

Meier K. | Germany | 60 | Interpretation of the self-diffusion coefficient and viscosity of the Lennard-Jones model fluid within the relaxation time concept |

Millot C. | France | 61 | Molecular dynamics simulation of quinoline in liquid state |

Nanu D.E. | The Netherlands | 62 | Predicting infinite dilution properties of aqueous flavour systems based on quantum calculations |

Nerukh D. | UK | 63 | Real and imaginary parts of the vibrational correlation function extracted from the highly overlapping Raman bands of liquid electrolyte solutions |

Omata K. | Japan | 64 | Synaptic polarities studied by the recurrent back-propagation |

65 | Theoretical study on the prewetting of mercury | ||

Padua A.A.H. | France | 66 | Interactions between gases and perfluorocarbons: development of intermolecular potentials and study by computer simulation |

Patel B.H. | UK | 67 | Predicting the salting out of alkanes in aqueous solutions with strong electrolytes |

Patrykiejew A. | Poland | 68 | Phase behavior of multilayer films formed by associating mixtures |

Perera A. | France | 69 | Entropy driven demixing in mixtures of hard convex bodies |

Pavlicek J. | Czech Republic | 70 | Perturbation theory for fluids of polar and polarizable convex molecules: Application to linear chloroalkanes and their mixtures with n-alkanes |

Petravic J. | Australia | 71 | Inherent time dependence in the constant shear algorithm |

Pizio O. | Mexico | 72 | Phase diagrams of binary mixtures of partially miscible components confined in slit-like pores |

Predota M. | USA | 73 | Molecular simulation study of the metal oxide/fluid interface in hydrothermal systems involving ab initio derived intermolecular potentials |

Rzysko W. | Poland | 74 | A nonuniversal critical behaviour of heteronuclear dimers on a square lattice |

Sacquin S. | Germany | 75 | Behavior of a fluid confined by nanopatterned substrates of low symmetry |

Schoell-Paschinger E. | Austria | 76 | Phase transitions and criticality in binary mixture |

Sedlbauer J. | Czech Republic | 77 | Semiempirical models for standard state properties of aqueous non-electrolytes |

Siepmann J.I. | USA | 78 | Novel Monte Carlo methods for nucleation and solid-fluid phase equilibria |

Sizov V. V. | Russia | 79 | Effects of surface heterogeneity on the adsorption of methane in coal micropores. A computer simulation study |

Slovak J. | Japan | 80 | Adsorption of fluids of pseudo-hard bodies and EPM 5 water on solid surface: Density functional theory |

Sokolowski S. | Poland | 81 | Phase behavior of a fluid in slit-like pores with differently adsorbing walls |

Spoeler C. | Germany | 82 | Phase behaviour of dipolar fluids in a disordered porous material |

Tang Y. W. | Hong Kong | 83 | Frequency dependent conductivity of electrolytes in nanopores |

Thompson H. | UK | 84 | Structural studies of metal amine solutions |

Toth G. | Hungary | 85 | Iterative determination of pair-potentials from experimental structure factors |

Travis K.P. | UK | 86 | Torsional kinetics of adsorbed alkanes in nanopores |

Ungerer P. | France | 87 | Investigation of multiphase equilibria in the water-H_{2}S / CH_{4} system by Monte Carlo simulation |

Valisko M. | Hungary | 88 | Theoretical and Monte Carlo simulation study of dielectric properties of polarizable dipolar hard sphere fluid |

Van Tassel P.R. | USA | 89 | Theory and simulation of adsorbate phase behavior in a templated porous material |

Varga S. | UK | 90 | Computer simulation of temperature dependence of model chiral spherocylinders |

Vega C. | Spain | 91 | Extending Wertheim's TPT1 theory to the solid phase. The freezing of fully flexible and fully rigid chains |

Voertler H. L. | Germany | 92 | MC simulations of extended primitive models of water in bulk and confined systems |

Vlcek L. | Czech Republic | 93 | Size and shape dependence of hydrophobic hydration |

94 | Potential of mean force from a simple model of electrolytes | ||

Vuilleumier R. | France | 95 | Comparison of the solvation of Ag^{+} and Na^{+} in water by an ab initio molecular dynamics study of Pearson's hardness |

Winkelmann J. | Germany | 96 | Application of density functional theory and simulation to vapor-liquid and liquid-liquid interfaces |

Woywod D. | Germany | 97 | Phase behaviour of confined symmetric binary fluid mixtures |