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 (617 and counting)

New publication - Hyperplane decision trees as piecewise linear surrogate models for chemical process design July 09, 2025

We’ve developed a new kind of decision-tree model that’s both smart and practical for tackling tough engineering problems. First, we take raw data and "lift" it into a richer feature space so w ... click here for more