John Kitchin

Professor at Carnegie Mellon University

Pittsburgh, Pennsylvania, United States
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Summary

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John Kitchin is a Professor of Chemical Engineering at Carnegie Mellon University with 17 years of experience specializing in computational catalysis and materials design using machine learning. He develops software and tools to run molecular simulations and to make research reproducible, combining deep domain knowledge in chemistry and materials with practical engineering of code and documentation. His sabbatical at Google’s Accelerated Science group reflects a track record of translating academic research into ML-driven engineering applications. An active open-source contributor, he has helped architect API wrappers for large databases and improved technical books and tooling for DFT workflows, showing attention to both usability and maintainability. Based in Pittsburgh, he blends rigorous PhD-level research with hands-on software development to accelerate materials discovery.
code17 years of coding experience
job9 years of employment as a software developer
bookBachelor’s Degree, Chemistry, Bachelor’s Degree, Chemistry at North Carolina State University
bookMaster’s Degree, Materials Science, Master’s Degree, Materials Science at University of Delaware
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Stackoverflow

Stats
2,268reputation
100kreached
56answers
35questions
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Github Skills (15)

api10
wrapper10
python10
apidoc10
org-mode10
emacs-lisp10
documentation10
refactoring8
latex8
elisp6
tensor6
tensorflow6
emacs6
numpy6
r6

Programming languages (14)

C++CRustGoJupyter NotebookFortranTypeScriptShell

Github contributions (5)

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jkitchin/dft-book

Oct 2012 - Aug 2016

A book on modeling materials using VASP, ase and vasp
Role in this project:
userTechnical Writer
Contributions:24 commits, 1 PR, 75 pushes in 3 years 10 months
Contributions summary:John primarily worked on documentation and formatting within the `dft-book` repository. Their commits focused on correcting and improving links to external resources. The user also made changes to the minor mode, and menu within the `dft.el` file, along with removing unneeded load commands. Finally, there are a number of files being added to the git ignore and a minor edit in `make.el`.
modelingmaterials-informaticsvaspase
Python-based API-Wrapper to access Scopus
Role in this project:
userBack-end Developer
Contributions:66 commits, 12 PRs, 34 pushes in 1 year 4 months
Contributions summary:John focused on setting up the initial structure for the API wrapper for Scopus, as well as refactoring and adding documentation to the codebase. Their work included the removal of API keys from the main codebase, and the implementation of the basic API methods and classes for interacting with the Scopus API. The user also made changes to the internal structure of the project and addressed Py2/3 compatibility issues, improving the overall maintainability of the project. The user integrated new features as well as made updates to the documentations.
bibliometricsscopus-apiapipythonapi-wrapper
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John Kitchin - Professor at Carnegie Mellon University