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
- January 20, 2022 New publication on segregation in ternary alloy surfaces
- January 11, 2022 Launching Point Breeze Publishing
- December 22, 2021 2021 in a nutshell
- December 18, 2021 New publication - Origin of the Stokes-Einstein Deviation in Liquid Al-Si
- December 03, 2021 New publication - Accelerated Optimization of Pure Metal and Ligand Compositions for Light-driven Hydrogen Production
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 ...
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