John Kitchin

@jkitchin · User

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I am a Professor of Chemical Engineering.

Carnegie Mellon UniversityPittsburgh, PA1,386 followers149 repositories

Repositories

jkitchin/f26-06763

Course materials for 06-763/14-763/18-763, Systems & Toolchains for AI in Engineering (Fall 2026). Lecture notes, MARP slides, assignments.

★ 1PythonForks 0

jkitchin/differentiable-flowsheets

JAX-based differentiable flowsheet framework for chemical process simulation, optimization, and technoeconomics — with plugins for bio, rare-earth extraction, carbon capture, and gas networks.

★ 13Jupyter NotebookForks 0

jkitchin/skillz

CLI tool for managing AI assistant skills and slash commands across multiple LLM platforms

★ 41PythonForks 9

jkitchin/discopt

A discrete optimization package with interior point and exterior swagger

★ 29PythonForks 5

jkitchin/tennessee-eastman-profbraatz

The Fortran 77 codes for the open-loop and the closed-loop simulations for the Tennessee Eastman process (TEP) as well as the training and testing data files used for evaluating the data-driven methods (PCA, PLS, FDA, and CVA).

★ 29PythonForks 5

jkitchin/discopt-mkm

Microkinetic modeling plugin for the discopt MINLP/AD library: catalysis kinetics, degree of rate control, mechanism discovery/selection, and electrochemistry.

★ 1PythonForks 0

jkitchin/org-ref

org-mode modules for citations, cross-references, bibliographies in org-mode and useful bibtex tools to go with it.

★ 1,435Emacs LispForks 234

jkitchin/discopt-doe

Design-of-experiments plugin for the discopt modeling language: active-learning optimization, classical factorial/mixture designs, and model-based D/A/E-optimal design.

★ 1PythonForks 0

jkitchin/pycse

Python computations in science and engineering

★ 283Jupyter NotebookForks 75

jkitchin/dft-book

A book on modeling materials using VASP, ase and vasp

★ 461Jupyter NotebookForks 144

jkitchin/ripopt

A memory-safe interior point optimizer for nonlinear programming, written in Rust

★ 45Jupyter NotebookForks 4

jkitchin/feral

Feral is a pure-Rust sparse symmetric indefinite linear solver with certified inertia counts for use in interior-point optimization algorithms.

★ 19RustForks 3

jkitchin/vasp

New ASE compliant Python interface to VASP

★ 157PythonForks 64

jkitchin/jasp

python enhancements of ase.calculators.vasp

★ 29PythonForks 13

jkitchin/tep-rust

Pure-Rust Tennessee Eastman Process simulator, with Python wheels and a browser app

★ 2RustForks 0

jkitchin/scimax

An emacs starterkit for scientists and engineers

★ 1,132Emacs LispForks 122

jkitchin/jmax

Johns customizations to maximize emacs

★ 194Emacs LispForks 58

jkitchin/jax-ldt

Pure-JAX linear and hyperplane decision trees for piecewise-linear surrogate modeling

★ 3PythonForks 0

jkitchin/s20-06681

Data science and machine learning in chemical engineering

★ 28Jupyter NotebookForks 9