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
- May 07, 2025 New publication - The Evolving Role of Programming and Llms in the Development of Self-Driving Laboratories
- April 11, 2025 New publication - A Classification-based Methodology for the Estimation of Binary Surfactant Critical Micelle Concentrations
- March 17, 2025 New publication - CatTsunami Accelerating Transition State Energy Calculations With Pretrained Graph Neural Networks
- February 11, 2025 New publication - Accessing Numerical Energy Hessians With Graph Neural Network Potentials and Their Application in Heterogeneous Catalysis
- February 05, 2025 New publication - Beyond the Fourth Paradigm of Modeling in Chemical Engineering
Current post (614 and counting)
New publication - The Evolving Role of Programming and Llms in the Development of Self-Driving Laboratories May 07, 2025
In this paper, I introduce Claude-Light, a lightweight self-driving lab prototype built on a Raspberry Pi with an RGB LED and ten-channel photometer, all accessible via a simple REST API and Py ...
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