212 citations · 1.3k across the 41 of their papers we have counts for
43 papers
Auxetic behaviour in crystals of hard polyhedra
Rinske M. Alkemade, Silvana A. Caipa Cure, Alptuğ Ulugöl +8
Auxetic materials - systems that, when subjected to a compression in one direction, also compress in one or more perpendicular directions - have intrigued researchers for decades d…
Vacancy defects in square-triangle tilings and their implications for quasicrystals formed by square-shoulder particles
Alptuğ Ulugöl, Giovanni Del Monte, Eline K. Kempkes +2
Almost all observed square-triangle quasicrystals in soft-matter systems contain a large number of point-like defects, yet the role these defects play in stabilizing the quasicryst…
Determining fluid-crystal phase boundaries for a binary hard-sphere mixture using direct-coexistence simulations
Rinske M. Alkemade, Alessandro Salo, Laura Filion +1
Determining fluid-crystal phase boundaries via direct-coexistence methods can be challenging due to the fact that the simulation box can introduce crystal strain. Recently, a direc…
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…
Entropic magnetic interlayer coupling
William Huddie, Laura Filion, Marjolein Dijkstra +1
Nanomagnetism concerns the engineering of magnetic interactions in heterostructures that consist of layers of magnetic and non-magnetic materials. Mostly, these interactions are do…
Defects Enhance Stability in 12-fold Symmetric Soft-Matter Quasicrystals
Alptuğ Ulugöl, Robert J. Hardeman, Frank Smallenburg +1
Quasicrystals are materials that exhibit long-range order without translational periodicity. In soft matter, the most commonly observed quasicrystal has 12-fold symmetry and consis…
Phase behavior and crystal nucleation of hard triangular prisms
Marjolein de Jager, Nena Slaats, Laura Filion
The interplay between densification and positional ordering during the process of crystal nucleation is a greatly investigated topic. Even for the simplest colloidal model -- hard…
Statistical mechanics of crystal nuclei of hard spheres
Marjolein de Jager, Carlos Vega, Pablo Montero de Hijes +2
In the study of crystal nucleation via computer simulations, hard spheres are arguably the most extensively explored model system. Nonetheless, even in this simple model system, th…
Fast event-driven simulations for soft spheres: from dynamics to Laves phase nucleation
Antoine Castagnède, Laura Filion, Frank Smallenburg
Conventional molecular dynamics (MD) simulations struggle when simulating particles with steeply varying interaction potentials, due to the need to use a very short time step. Here…
A simple and accurate method to determine fluid-crystal phase boundaries from direct coexistence simulations
Frank Smallenburg, Giovanni Del Monte, Marjolein de Jager +1
One method for computationally determining phase boundaries is to explicitly simulate a direct coexistence between the two phases of interest. Although this approach works very wel…
Roadmap on machine learning glassy dynamics
Gerhard Jung, Rinske M. Alkemade, Victor Bapst +10
Unraveling the connections between microscopic structure, emergent physical properties, and slow dynamics has long been a challenge when studying the glass transition. The absence…
In search of a precursor for crystal nucleation of hard and charged colloids
Marjolein de Jager, Frank Smallenburg, Laura Filion
The interplay between crystal nucleation and the structure of the metastable fluid has been a topic of significant debate over recent years. In particular, it has been suggested th…
A hard-sphere quasicrystal stabilized by configurational entropy
Etienne Fayen, Laura Filion, Giuseppe Foffi +1
Due to their aperiodic nature, quasicrystals are one of the least understood phases in statistical physics. One significant complication they present in comparison to their periodi…
Improving the prediction of glassy dynamics by pinpointing the local cage
Rinske M. Alkemade, Frank Smallenburg, Laura Filion
The relationship between structure and dynamics in glassy fluids remains an intriguing open question. Recent work has shown impressive advances in our ability to predict local dyna…
Crystal Nucleation of Highly-Screened Charged Colloids
Marjolein de Jager, Laura Filion
We study the nucleation of nearly-hard charged colloidal particles. We use Monte Carlo simulations in combination with free-energy calculations to accurately predict the phase diag…
Modeling of effective interactions between ligand coated nanoparticles through symmetry functions
Dinesh Chintha, Shivanand Kumar Veesam, Emanuele Boattini +2
Ligand coated nanoparticles are complex objects consisting of a metallic or semiconductor core with organic ligands grafted on their surface. These organic ligands provide stabilit…
Self-assembly of dodecagonal and octagonal quasicrystals in hard spheres on a plane
Etienne Fayen, Marianne Impéror-Clerc, Laura Filion +2
Quasicrystals are fascinating structures, characterized by strong positional order but lacking the periodicity of a crystal. In colloidal systems, quasicrystals are typically predi…
Comparing machine learning techniques for predicting glassy dynamics
Rinske M. Alkemade, Emanuele Boattini, Laura Filion +1
In the quest to understand how structure and dynamics are connected in glasses, a number of machine learning based methods have been developed that predict dynamics in supercooled…
Machine learning many-body potentials for colloidal systems
Gerardo Campos-Villalobos, Emanuele Boattini, Laura Filion +1
Simulations of colloidal suspensions consisting of mesoscopic particles and smaller species such as ions or depletants are computationally challenging as different length and time…