87 citations · 124 across the 6 of their papers we have counts for
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Atomistic simulations of electrolyte solutions and hydrogels with explicit solvent models
Jonathan Walter, Stephan Deublein, Steffen Reiser +3
Two of the most challenging tasks in molecular simulation consist in capturing the properties of systems with long-range interactions (e.g. electrolyte solutions) as well as system…
Modification of the classical nucleation theory based on molecular simulation data for surface tension, critical nucleus size, and nucleation rate
Martin Horsch, Jadran Vrabec, Hans Hasse
Nucleation in supersaturated vapor is investigated with two series of molecular dynamics simulations in the canonical ensemble. The applied methods are: (a) analysis of critical nu…
Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics
Martin Horsch, Jadran Vrabec, Martin Bernreuther +5
Molecular dynamics (MD) simulation is applied to the condensation process of supersaturated vapors of methane, ethane, and carbon dioxide. Simulations of systems with up to a milli…