Projects

Some ramblings of mine while trying to study the principle of least action in terms of fluid mechanics.

A tutorial on the theory and implementation of quantum simulation of many body systems.

A simple variational autoencoder trained on MNIST. Theory and code included.

This was a class project I made for CS4964 Computational Geometry. It walks through the theory and code behind 4 popular clustering algorithms.

A standard operating procedure for performing Bayesian linear regresssion, in python, from scratch.

This explains how to create a GP Classifier with all the theory and code in PyTorch

Using Local Gaussian Process surrogates and Hamiltonian Monte Carlo to find the best classical water model that reproduces experimental scattering measurements.

Reproducing the thermodynamic phase behavior of the TIP4P/2005 water model, including density, compressibility, self-diffusion, RDF, heat capacity, and solid-liquid coexistence.

Using deep generative models to sample Boltzmann distributions for molecular systems, addressing the rare event problem in molecular dynamics.

A paper for a course I did in catalyst development and characterization. The class was wholy untheoretical and utterly useless for any computational development. I scratched the itch by making this.