Lab notebook
Working notes on simulation, free energies, machine learning and the papers I’m reading. Some entries are polished explainers; most are quick notes from the day.
Latest · 9 October 2026
Introducing WindowWise: plan, check and repair umbrella sampling
A free in-browser tool that designs umbrella windows before you simulate and tells you exactly which windows to add afterwards.
Read · 2 min2026
- 3 min
Teaching attention to read a surface
Replacing umbrella sampling with a CNN–GRU–attention network, then running it backwards to design surfaces.
- 3 min
Small crowders are not tiny PEG
What glycine and serine do to a DNA-coated gold nanoparticle, and why depletion isn't the right picture for them.
- 1 min
Opening the lab notebook
Why I'm keeping a public research notebook, and what will go in it.
Subscribe by RSS.