jkitchin/scimax_vscode
you know what this is.
I am a Professor of Chemical Engineering.
you know what this is.
Pure-Rust port of Ipopt (NLP/IPM solver)
Course materials for 06-763/14-763/18-763, Systems & Toolchains for AI in Engineering (Fall 2026). Lecture notes, MARP slides, assignments.
JAX-based differentiable flowsheet framework for chemical process simulation, optimization, and technoeconomics — with plugins for bio, rare-earth extraction, carbon capture, and gas networks.
CLI tool for managing AI assistant skills and slash commands across multiple LLM platforms
A discrete optimization package with interior point and exterior swagger
A literature database
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).
Microkinetic modeling plugin for the discopt MINLP/AD library: catalysis kinetics, degree of rate control, mechanism discovery/selection, and electrochemistry.
org-mode modules for citations, cross-references, bibliographies in org-mode and useful bibtex tools to go with it.
Design-of-experiments plugin for the discopt modeling language: active-learning optimization, classical factorial/mixture designs, and model-based D/A/E-optimal design.
Python computations in science and engineering
A symbolic regression engine for jax
A book on modeling materials using VASP, ase and vasp
A memory-safe interior point optimizer for nonlinear programming, written in Rust
Feral is a pure-Rust sparse symmetric indefinite linear solver with certified inertia counts for use in interior-point optimization algorithms.
New ASE compliant Python interface to VASP
Course repository for 06-640 - Molecular simulation
python enhancements of ase.calculators.vasp
Pure-Rust Tennessee Eastman Process simulator, with Python wheels and a browser app
An emacs starterkit for scientists and engineers
Johns customizations to maximize emacs
Pure-JAX linear and hyperplane decision trees for piecewise-linear surrogate modeling
my blog
Copy formatted content from org-mode
Data science and machine learning in chemical engineering