4 papers
How does ethane wet different substrates?
Å. Baran, D. Tarasewicz, W. Rżysko
Computer simulations are employed to investigate the adsorption mechanisms of ethane on both homogeneous and inhomogeneous substrates. For homogeneous surfaces, the full range of s…
Impact of the sodium and calcium chlorides uptake on the interfacial behavior of ice: premelting, structure, and dynamics
Åukasz Baran, Luis G. MacDowell
Hypothesis: Seawater ice and frozen aqueous solutions in contact with air can exhibit a thin quasi-brine surface layer intruding between ice and vapor, but a detailed characterizat…
How important is the dielectric constant in water modeling? Evaluation of the performance of the TIP4P/ force field and its compatibility with the Joung-Cheatham NaCl model
Åukasz Baran, Cosmin A. Dicu-Gohoreanu, Luis G. MacDowell
Efficient large-scale computer simulations of aqueous solutions require the use of accurate but simple empirical force fields for water. However, the complexity of these systems ev…
Self-assembly of chromatic patchy particles with tetrahedrally arranged patches
Dariusz Tarasewicz, Edyta RaczyÅÅo, Wojciech Rżysko +1
The achievement of selectivity in the formation of cubic diamond is challenging due to the emergence of competing phases such as its hexagonal polymorph or clathrates possessing si…