Simulation gallery
Visual projects from molecular simulations.
I am building this gallery around simulations that are interesting to watch and useful for explaining chemistry.
Project 001
When Hydrogen Bonds Let Go
I heated a water slab and visualized molecules moving into the vapor space. It is a simple first project, but it captures the kind of molecular-scale motion I want this portfolio to show.
Next directions
Polymer nanoparticles
PLGA particles, hydration, interfaces, and solvent organization.
Ionic-liquid interfaces
Ion localization, water displacement, and interfacial structure.
Molecular recognition
Binding poses, contacts, and interaction snapshots.
Code and workflow repositories
These repositories support the analysis and preparation work behind the visual projects.