213 citations · 989 across the 36 of their papers we have counts for
5 papers · 1 filter
Island formation in heteroepitaxial growth
Frederik Munko, Catherine Cruz Luukkonen, Ismael S. S. Carrasco +2
Island formation in strain-free heteroepitaxial deposition of thin films is analyzed using kinetic Monte Carlo simulations of two minimal lattice models and scaling approaches. The…
The orientational structure of a model patchy particle fluid: simulations, integral equations, density functional theory and machine learning
Alessandro Simon, Luc Belloni, Daniel Borgis +1
We investigate the orientational properties of a homogeneous and inhomogeneous tetrahedral 4-patch fluid (Kern--Frenkel model). Using integral equations, either (i) HNC or (ii) a m…
Effective patchiness from critical points of a coarse-grained protein model with explicit shape and charge anisotropy
Jens Weimar, Frank Hirschmann, Martin Oettel
Colloidal model systems are successful in rationalizing emergent phenomena like aggregation, rheology and phase behaviour of protein solutions. Colloidal theory in conjunction with…
Universality of the close packing properties and markers of isotropic-to-tetratic crossover in quasi-one-dimensional superdisk fluid
Sakineh Mizani, Martin Oettel, Péter Gurin +1
We study equilibrium states and ordering regimes of a quasi-one-dimensional system of hard superdisks (anisotropic particles interpolating between disks and squares) where the cent…
Machine Learning approaches to classical density functional theory
Alessandro Simon, Martin Oettel
In this chapter, we discuss recent advances and new opportunities through methods of machine learning for the field of classical density functional theory, dealing with the equilib…