18 citations · 69 across the 8 of their papers we have counts for
9 papers
Kinetic phase diagram for two-step nucleation in colloid-polymer mixtures
Willem Gispen, Peter G. Bolhuis, Marjolein Dijkstra
Two-step crystallization via a metastable intermediate phase is often regarded as a non-classical process that lies beyond the framework of classical nucleation theory (CNT). In th…
The bcc coating of Lennard-Jones crystal nuclei vanishes with a change of local structure detection algorithm
Willem Gispen, Alberto Pérez de Alba Ortíz, Marjolein Dijkstra
Since the influential work of ten Wolde, Ruiz-Montero, and Frenkel [Phys. Rev. Lett. 75, 2714 (1995)], crystal nucleation from a Lennard-Jones fluid has been regarded as a paradigm…
Variational Umbrella Seeding for Calculating Nucleation Barriers
Willem Gispen, Jorge R. Espinosa, Eduardo Sanz +2
In this work, we introduce Variational Umbrella Seeding, a novel technique for computing nucleation barriers. This new method, a refinement of the original seeding approach, is far…
Finding the Differences: Classical Nucleation Perspective on Homogeneous Melting and Freezing of Hard Spheres
Willem Gispen, Marjolein Dijkstra
By employing brute-force molecular dynamics, umbrella sampling, and seeding simulations, we investigate homogeneous nucleation during melting and freezing of hard spheres. We provi…
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…
Kinetic phase diagram for nucleation and growth of competing crystal polymorphs in charged colloidal suspensions
Willem Gispen, Marjolein Dijkstra
We determine the full kinetic phase diagram for nucleation and growth of crystal phases in a suspension of charged colloids. We calculate nucleation barrier heights for face-center…
Crystal polymorph selection mechanism of hard spheres hidden in the fluid
Gabriele M. Coli, Robin van Damme, C. Patrick Royall +1
Nucleation plays a critical role in the birth of crystals and is associated with a vast array of phenomena such as protein crystallization and ice formation in clouds. Despite nume…
Ground States of Quantum Many Body Lattice Models via Reinforcement Learning
Willem Gispen, Austen Lamacraft
We introduce reinforcement learning (RL) formulations of the problem of finding the ground state of a many-body quantum mechanical model defined on a lattice. We show that stoquast…
Quantum Ground States from Reinforcement Learning
Ariel Barr, Willem Gispen, Austen Lamacraft
Finding the ground state of a quantum mechanical system can be formulated as an optimal control problem. In this formulation, the drift of the optimally controlled process is chose…