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 01, 2023 2022 in a nutshell
• September 29, 2022 New publication - Identifying limitations in screening high-throughput photocatalytic bimetallic nanoparticles with machine-learned hydrogen adsorptions
• September 12, 2022 New publication - Neural network embeddings based similarity search method for atomistic systems
• March 07, 2022 New publication - Evaluation of the Degree of Rate Control via Automatic Differentiation
• March 06, 2022 New publication - Model-Specific to Model-General Uncertainty for Physical Properties

Current post (578 and counting)

2022 in a nutshell January 01, 2023