Simulating Crystallization in a Colloidal System Using State Predictive Information Bottleneck Based Enhanced Sampling

VJ Meraz, Z Zou, P Tiwary - The Journal of Physical Chemistry B, 2024 - ACS Publications
We investigate crystal nucleation in supersaturated colloid suspensions using enhanced
molecular dynamics simulations augmented with machine learning techniques. The …

Simulating Crystallization in a Colloidal System Using State Predictive Information Bottleneck based Enhanced Sampling

VJ Meraz, Z Zou, P Tiwary - arXiv e-prints, 2024 - ui.adsabs.harvard.edu
We investigate crystal nucleation in supersaturated colloid suspensions using enhanced
molecular dynamics simulations augmented with machine learning techniques. The …