Computational chemistry in motion

Small molecular worlds, made visible.

I use molecular simulations to study chemistry through motion: molecules evaporating, interfaces forming, structures organizing, and interactions taking shape.

Project 001

When Hydrogen Bonds Let Go

Water molecules leave a heated slab and move into the vapor space.

Water vaporization

I started with a familiar molecule and a simple visual question: what does evaporation look like at the molecular scale?

Research themes

Future pages will move through polymer interfaces, nanoparticle hydration, molecular recognition, and electronic-structure visuals.

Tools and code

Most pages will stay visual, but I also keep selected analysis and workflow code available through GitHub.