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.

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Current post (573 and counting)

New publication on segregation in ternary alloy surfaces January 20, 2022

In this paper we combine density functional theory, machine learning, Monte Carlo simulations and experimental data to study segregation in a ternary alloy Cu-Pd-Au surface across the composit ... click here for more