**Aquing** | 49. | Rheological behaviour of Diesel fuels at extreme conditions |

**Argyris** | 69. | Aqueous solutions on silica surfaces – structure and dynamics from simulations |

**Ashton** | 01. | Phase behavior of highly size-asymmetric binary fluids |

**Autieri** | 02. | Coarse-grained simulations of functionalized hyaluronic acid hydrogels |

**Ayadim** | 03. | Confined mixture of non-additive hard spheres-integral equations and DFT |

**Bacova** | 56. | Persistence length of semiflexible polyelectrolytes |

**Baranayi** | 04. | A transferable classical potential for the water molecule |

**Boda** | 06. | How to drive an ion through a sharp dielectric boundary in a computer simulation |

**Borowko** | 08. | Adsorption of mixtures of short chains+spherical molecules on surfaces with end-grafted polymers |

**Borowko** | 61. | Phase diagrams for dimers built of Lennard-Jones segments |

**Botan** | 09. | Two-phase flow in porous media from molecular simulations |

**Boublik** | 10. | Density profiles in inhomogeneous systems-hydrogen at a graphite wall and in a tube |

**Brennan** | 11. | Mesoscale modeling of dynamic response – dissipative particle dynamics |

**Brunet** | 12. | MC simulation of a confined fluid of polarizable particles in el field-slab adapted 3D Ewald sum |

**Bryk** | 13. | Critical wetting for short-ranged forces revised-new MC results |

**Darvas** | 14. | Competitive adsorption of poly(ethylene oxide) and sodium dodecyle sulfate |

**Darvas** | 15. | Adsorption and thermally induced desorption of oxalic acid on ice surface |

**Desbiens** | 16. | Evaluation of accuracy of the improved KLRR perturbation theory for mixtures |

**Dominguez** | 17. | Computer simulations of the L-L and L-G coexistence curves for the perfluorohexane+n-heptane system |

**Dopazo-Paz** | 18. | Ability of 3 pairwise rigid intermolecular potentials for methanol+water mixtures |

**Doppelbauer** | 19. | Self-assembly scenarios of patchy colloidal particles |

**Fartaria** | 20. | density minimum in the isotropic nematic transition of cut-spheres |

**Francova** | 21. | bubble and dew-point simulation methodology for mixtures – refrigerant cycle design |

**Gallardo** | 22. | Modelling and simulation of adsorption in interlayed pillared clays |

**Garrido** | 23. | Optimization of free energy calc. based on number of intermediate steps and sim. length analysis |

**Gazzillo** | 24. | Dipolar sticky hard spheres within the PY approximation plus orientational linearization |

**Gelb** | 25. | First principles MC simulation of elemental fluid phase equilibria |

**Ghatee** | 26. | The extent of molecular oriantation at liquid-vapor interface of polar liquids by MD simulations |

**Ghatee** | 27. | MD simulation of graphite mixed with electroanalytical binders |

**Gillespie** | 28. | A DFT theory of ions at a dielectric interface |

**Godec** | 29. | Topology and statistics of density fluctuations in liquid water |

**Gomez-Alvarez** | 30. | MC simulation of methanol in gas phase-two-state concept |

**Gonzales-Salgado** | 31. | Solid-solid and solid-liquid equilibria of the OPLS model for MeOH |

**Greschek** | 32. | Frustration of nanoconfined liquid crystals due to hybrid substrate anchoring |

**Hantal** | 33. | GCMC study of adsorption of acetone, formaldehyde, formic acid and methanol on ice |

**Henderson** | 77. | Charged hard spheres solidification |

**Horsch** | 34. | The air pressure effect on CO2 nucleation by MD simulation |

**Jager** | 35. | Ferrofluids in rotating magnetic fields |

**Jirsak** | 38. | On the stability limit of liquid water |

**Khan** | 65. | Self-assembled monolayer of n-alkanols in mica surface – MD study |

**Kiss** | 05. | Clusters of classical water models |

**Klamt** | 79. | COSMO-RS – much than just COSMO |

**Kolafa** | 40. | Hydrogen-bond defect in the structure of ice Ih |

**Kosovan** | 82. | Star polyelectrolytes in poor solvents |

**Krejci** | 42. | EXP6 fluids at extreme conditions modeled by 2-Yucawa potentials |

**Lamperski** | 43. | Activity coefficients of a solvent primitive model electrolyte from inverse GCMC |

**Leroch** | 78. | Adsorption from dilute solutions and forces between nanoparticles |

**Lichtner** | 44. | Demixing of a two-component Heisenberg fluid system |

**Malasics** | 07. | Adaptive GCMC algorithm to determine ionic chemical potentials in electrolytes |

**Malijevsky** | 81. | Does a fluid-fluid separation exist in additive hard sphere mixtures |

**Matas** | 45. | MD simulation of water evaporation retardation |

**Melnyk** | 46. | On application of the van der Waals theory to EXP6 fluid |

**Miguez** | 53. | Determination of interfacial properties of water+methane under slab confinement by MC |

**Moucka** | 80. | Molecular-level simulation of electrolyte solubility and chemical speciation |

**Neitsch** | 48. | Event-driven sim. of spherical colloids with short-ranged attractive interactions in a slit pore |

**Papaloannou** | 51. | Predicting the V-L and L-L phase behaviour of aqueous solutions with the SAFT-gamma group contribution |

**Partay** | 36. | A new method for determining the interfacial molecules and surface roughness in simulations |

**Partay** | 37. | Computer simulation of the aggregation behavior of sodium cholate and deoxycholate in aqueous solutions |

**Petrus** | 52. | Lamellae formation in DPD of diblock copolymers – effect of lamellar orientation on layer spacing |

**Posel** | 54. | Scaling laws in dissipative particle dynamics revised |

**Predota** | 50. | Non-equilibrium MD of the solid-liquid interface |

**Preisler** | 55. | Branched polymers in pores |

**Rodriguez** | 57. | Polar mixtures under nanoconfinement |

**Rodriguez** | 58. | Coaxial cross-diffusion through carbon nanotubes |

**Rosenthal** | 59. | Ordering of amphiphilic particles at planar walls |

**Rutkai** | 60. | Dynamic MC simulation in ion channels |

**Schmidle** | 62. | L-G phase transition in 2D Stockmayer fluids under external field |

**Schreckenberg** | 64. | Influence of added oil+salt on the liquid phase of a non-ionic amphiphilic mixtures by SAFT-VRE |

**Skvor** | 66. | Percolation line and response function in simple supercritical fluids |

**Stenhammar** | 67. | Bulk simulation of polar liquids in cubic and spherical symmetry |

**Sumi** | 70. | Mechanism of high-pressure unfolding of proteins – interfacial high-density hydration shell |

**Tabatabaei** | 41. | Diffusion of tracer particles in hydrogels |

**Troncoso** | 72. | Behavior of the isobaric thermal expansivity vs temperature and pressure for fluids |

**Trulsson** | 73. | Simulations of high-dielectric Stockmayer fluids and SPCE water in hyperspherical geometry |

**Tummala** | 68. | PMF between aqueous single-walled carbon nanotubes in surfactant solution |

**Uhlik** | 74. | A coarse-grained model of DNA |

**Viererblova** | 75. | Reparameterization of the four-site polarizable water model |

**Weeber** | 39. | Structural transitions in magnetic fluids – theory and simulation |

**Zacharoudiou** | 76. | Viscous fingering |