Molecular simulation of crystal nucleation

Speacer: Prof. Eric Santiso (Chemical and Biomolecular Engineering, North Carolina State University)

Abstract: Understanding and controlling how molecular crystals form is a big challenge. It is important for making products like food, special chemicals, building materials, optical devices, and medicines. Studying this process is difficult because crystal formation (called nucleation) happens randomly, involves very small structures, and takes place over long periods of time. In this talk, we will give an overview of the systems we have studied using a method called the String Method in Collective Variables. This method helps us understand how organic molecules begin to form crystals, both from a cooled liquid and from a solution. We will also talk about new findings on how the nearby solvent (liquid) structure affects the beginning of crystal formation.

Those who cannot participate in person can follow the talk using Microsoft Teams:
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