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Kitchin Research Group

John Kitchin · Department of Chemical Engineering, Carnegie Mellon University

We design materials, processes and the tools to optimize them, combining quantum chemistry, machine learning and mathematical optimization, and we share the software that makes it work.

Research Publications Paper summaries Software Teaching
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Twenty-five years of papers

Materials and catalysis 76Energy and process engineering 46Computing, data and optimization 16Other 2
20022005
20102015202020252026

Each dot is one paper, colored by the OpenAlex field of its main topic. Hover over a dot for the paper, or select a year to see its papers. The full list is on the publications page.

Latest posts

A new home for the blog

blog
python

The old posts stay where they were. New posts, like this one, run their code locally and store the results.

Oct 14, 2026

Posts from notebooks

jupyter
emacs
org-mode

A Jupyter notebook in posts/ becomes a post, rendered from its saved outputs.

Oct 13, 2026
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Older posts (2009-2025) are in the archive.

John Kitchin · Department of Chemical Engineering · College of Engineering · Carnegie Mellon University

 

Posts 2009-2025: archive