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.
- 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
- 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
Current post (575 and counting)
Determining which steps in a chemical reaction network are important in controlling the reaction rate is challenging. The degree of rate control is a valuable tool for this, but it requires the ...
click here for more