The nucleation of crystals in liquids is one of nature's most ubiquitous phenomena, playing
an important role in areas such as climate change and the production of drugs. As the early …

Water is the most abundant liquid on earth and also the substance with the largest number
of anomalies in its properties. It is a prerequisite for life and as such a most important subject …

Rare events are ubiquitous in many different fields, yet they are notoriously difficult to
simulate because few, if any, events are observed in a conventional simulation run. Over the …

The status of our understanding of nucleation is reviewed. Both general aspects of
nucleation and those specific to protein solutions and colloidal suspensions are considered …

We present a study of homogeneous crystal nucleation from metastable fluids via the
seeding technique for four different systems: mW water, Tosi-Fumi NaCl, Lennard-Jones …

In an industrial crystallization process, crystal shape strongly influences end-product quality
and functionality, as well as downstream processing. In addition, nucleation events, solvent …

We present three algorithms for calculating rate constants and sampling transition paths for
rare events in simulations with stochastic dynamics. The methods do not require a priori …

Nucleation and crystal growth are important in material synthesis, climate modeling,
biomineralization, and pharmaceutical formulation. Despite tremendous efforts, the …

This review describes some important physical characteristics of the pathways (ie,
dynamical processes) by which molecular, nanoscale, and micrometer-scale self-assembly …

Exploring nucleation processes by molecular simulation provides a mechanistic
understanding at the atomic level and also enables kinetic and thermodynamic quantities to …