212 citations · 1.3k across the 41 of their papers we have counts for
6 papers · 1 filter
Local composition fluctuations act as precursors for crystal nucleation in polydisperse hard spheres
Marjolein de Jager, Antoine Castagnède, Frank Smallenburg +1
We revisit the effect of polydispersity on the crystal nucleation of hard spheres. Using event-driven molecular dynamics simulations, we obtain the nucleation rate as a function of…
Solid-angle based nearest-neighbor algorithm adapted for systems with low coordination number
Alptuğ Ulugöl, Frank Smallenburg, Laura Filion
Nearest-neighbor identification is central to the analysis of local structure in condensed matter systems. The solid-angle-based nearest-neighbor (SANN) algorithm is widely used of…
Comparing dimensionality reduction methods for local structural identification in colloidal systems
Alptuğ Ulugöl, Jessi Bückmann, Ruizhi Yang +4
Quantifying local structures in self-assembled systems is a central challenge in soft matter and materials science. When no a priori knowledge of the relevant structures is availab…
Characterizing the cage state of glassy systems and its sensitivity to frozen boundaries
Rinske M. Alkemade, Frank Smallenburg, Laura Filion
Understanding the role that structure plays in the dynamical arrest observed in glassy systems remains an open challenge. Over the last decade, machine learning (ML) strategies hav…
Freezing line of polydisperse hard spheres via direct-coexistence simulations
Antoine Castagnède, Laura Filion, Frank Smallenburg
In experimental systems, colloidal particles are virtually always at least somewhat polydisperse, which can have profound effects on their ability to crystallize. Unfortunately, ac…
Machine learning short-ranged many-body interactions in colloidal systems using descriptors based on Voronoi cells
Rinske M. Alkemade, Rastko Sknepnek, Frank Smallenburg +1
Machine learning (ML) strategies are opening the door to faster computer simulations, allowing us to simulate more realistic colloidal systems. Since the interactions in colloidal…