| 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 |
