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
- October 31, 2025 New publication - Multiscale Perturbation Methods for Dynamic/Programmable Catalysis
- October 02, 2025 New publication - How Electrolyte pH Affects the Oxygen Reduction Reaction
- September 27, 2025 New publication - Uncertainty Quantification in Graph Neural Networks With Shallow Ensembles
- September 16, 2025 New publication - Towards Agentic Science for Advancing Scientific Discovery
- July 31, 2025 New publication - Mapping uncertainty using differentiable programming
Current post (623 and counting)
New publication - Multiscale Perturbation Methods for Dynamic/Programmable Catalysis October 31, 2025
In our recent paper, Multiscale Perturbation Methods for Dynamic/Programmable Catalysis, Carolina Colombo Tedes ...
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