Teaching

Computational Chemistry Course

I was the only graduate student in a Computational Chemistry course aimed at advanced undergraduate students in their junior and senior years of chemistry studies at Fordham.

I learned a ton from the class, both about chemistry and computing. I was not the TA, but as the resident CS grad student there were a few times I got to share my love of computing with the class.

Here are a few slide decks I put together. Citations and additional commentary can be found in the speaker notes (accessible through the gear ⚙️ icon). Most figures and formulae are from Sutton and Barto (you can’t mess with perfection!)

Very brief intro to RL

The aim of this presentation is to jumpstart CompChem student’s interest and understanding of RL basics and empower them to jump in!

RL Continued: MCTS

A few weeks later, we covered compter-aided chemical synthesis planning. A lot of cool tree search algorithms have been employed in this space, including MCTS.