199 citations · 3.7k across the 90 of their papers we have counts for
91 papers
Brute-force nucleation rates of hard spheres compared with rare-event methods and classical nucleation theory
Willem Gispen, Marjolein Dijkstra
We determine the nucleation rates of hard spheres using brute-force molecular dynamics simulations. We overcome nucleation barriers of up to , leading to a rigorous test…
A colloidal viewpoint on the finite sphere packing problem: the sausage catastrophe
Susana Marín-Aguilar, Fabrizio Camerin, Stijn van der Ham +3
It is commonly believed that the most efficient way to pack a finite number of equal-sized spheres is by arranging them tightly in a cluster. However, mathematicians have conjectur…
Colloidal Hard Spheres: Triumphs, Challenges and Mysteries
C. Patrick Royall, Patrick Charbonneau, Marjolein Dijkstra +4
The simplicity of hard spheres as a model system is deceptive. Although the particles interact solely through volume exclusion, that nevertheless suffices for a wealth of static an…
A Boltzmann generator for the isobaric-isothermal ensemble
Steyn van Leeuwen, Alberto Pérez de Alba Ortíz, Marjolein Dijkstra
Boltzmann generators (BGs) are now recognized as forefront generative models for sampling equilibrium states of many-body systems in the canonical ensemble, as well as for calculat…
Flexible Colloidal Molecules with Directional Bonds and Controlled Flexibility
Yogesh Shelke, Fabrizio Camerin, Susana Marín-Aguilar +3
Colloidal molecules are ideal model systems for mimicking real molecules and can serve as versatile building blocks for the bottom-up self-assembly of flexible and smart materials.…
Dynamics of supercooled liquids from static averaged quantities using machine learning
Simone Ciarella, Massimiliano Chiappini, Emanuele Boattini +2
We introduce a machine-learning approach to predict the complex non-Markovian dynamics of supercooled liquids from static averaged quantities. Compared to techniques based on parti…