| 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 |
| C. Vega, A. Benavides, Sanz, J. Abascal | Salts in water. Solubility, models and nucleation. |
| K. Trachenko | New understanding of collective modes and thermodynamics of the liquid state |
| M. Sweatman | Giant SALR clusters: reproduction and adsorption at interfaces |
| M. Jorge, 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 |
| A. Jabbarzadeh | Molecular Dynamics Simulation of 3-Dimensional Flows over Nanoscale Bodies |
| 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 |
