Using PyTorch to enhance molecular simulations and using Plumed to classify images
Hi, I am currently a PhD candidate in the Pande Group at Stanford University trying to understand protein Kinase dynamics using Molecular dynamics(MD) simulations and Markov state models(MSM). I also work on methods to extend the interpretability of our models by borrowing techniques from statistics, informatics, and machine learning. I am further interested in extending the capabilities of MD by leveraging information from Markov models.
In my free time, I like to cook, hike, play squash, dabble in tennis, and do some light power lifting. My current lifting best is a 480lbs squat, 520lbs deadlift, and 290lbs bench which equals to a Wilks coefficient of 348.
PhD in Chemistry, 2017
Stanford University
BSc in Chemistry, 2011
Yale University
All others are listed here
Random musings on weekend projects
Using PyTorch to enhance molecular simulations and using Plumed to classify images
Using Autoencoders to enhance molecular simulations via Metadynamics.
A few of my current & past projects. For a full list, visit my Google Scholar profile
Kinetics and thermodynamics of Protein Kinases.
Development of software for analyzing and making MSMs.
Faster sampling via Markov decision processes(MDP) and Reinforcement-Learning.
Improved markov modeling across multiple sequences.
I have been a teaching instructor for the following courses at Stanford University: