Welcome to the Kitchin Group

Our group utilizes data science and machine learning to solve problems in catalysis and engineering. Our current focuses include developing machine learned potentials for molecular simulations, and design of experiments for high-throughput experimentation.

News

Current post (575 and counting)

New publication - Evaluation of the Degree of Rate Control via Automatic Differentiation March 07, 2022

Determining which steps in a chemical reaction network are important in controlling the reaction rate is challenging. The degree of rate control is a valuable tool for this, but it requires the ... click here for more