Jacob Townsend Email & Phone Number

I am a researcher at the University of Tennessee-Knoxville that focuses on the development and implementation of machine-learning models for materials design and acceleration of cumbersome quantum-mechanical calculations.A primary focus has been on the featurization of chemistry applications. In other words, how does one represent a chemical system as input for machine learning algorithms? Feature engineering is a crucial ingredient to successful ML applications, but does not have a straightforward implementation for molecules. I have implemented unique representations of molecules paired with machine-learning algorithms to improve the accuracy of quantum mechanical methods as well as screen databases of molecules for desired properties.