Projects and Adventures

Reformix

Designing recyclable polymer at the molecular level.

PD-1 Immunotherapy Drug Study

Running quantum chemistry on a cancer drug target at 17.

Inverse Molecular Design Engine

Start from the property. Work backward to the molecule.

Active Learning Materials Discovery Loop

The system learns which experiment to run next.

Solid-State Electrolyte Screener

Finding the battery material that won't catch fire.

CO2 Capture MOF Screener

Searching 10,000 crystal structures for the right CO2 trap.

Self-Healing Polymer Simulator

Watching a material decide to fix itself, atom by atom.

Neural Network Potential Trainer

Simulation 100x faster. Consistent accuracy.

Catalyst Activity Predictor

Predicting which catalyst works before running the reaction.