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johnkitchin.bsky.social

@johnkitchin.bsky.social
48 followers 85 following 59 posts
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johnkitchin.bsky.social @johnkitchin.bsky.social · 31/07/2025
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johnkitchin.bsky.social @johnkitchin.bsky.social · 31/07/2025
We just released a new differentiable‐programming framework for rapid uncertainty quantification—no Monte Carlo required! 🚀 Check it out: doi.org/10.1002/aic.... #ProcessEngineering #UQ #DifferentiableProgramming
doi.org
Mapping uncertainty using differentiable programming
Uncertainty quantification (UQ) and propagation is a ubiquitous challenge in science, permeating our field in a general fashion, and its importance cannot be overstated. Recently, the commoditization...
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johnkitchin.bsky.social @johnkitchin.bsky.social · 31/07/2025
I see room for improvement. Proposal 🚀
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johnkitchin.bsky.social @johnkitchin.bsky.social · 27/07/2025
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johnkitchin.bsky.social @johnkitchin.bsky.social · 25/07/2025
5️⃣ Have more questions? Drop them anytime. Chemical engineering might be more you than you think. 💬👋 #CollegeBound #ParentingTeens #AskAnEngineer #FutureReadyKids #STEMForParents
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johnkitchin.bsky.social @johnkitchin.bsky.social · 25/07/2025
3️⃣ “Will I still have time for a life?” Yes! ChemE students join clubs, play sports, travel, and still make time to rest. 🎭🌍😴 4️⃣ “Can I still go to med/law/business school?” Definitely. ChemE is a rock-solid launchpad to almost any future path. 📊⚖️🩺
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johnkitchin.bsky.social @johnkitchin.bsky.social · 25/07/2025
1️⃣ “Do I have to be a genius to study ChemE?” Nope. Just curious, hardworking, and ready to learn new things. 🧠✨ 2️⃣ “Is it just chemistry?” Not at all! It includes physics, math, biology, computer science — and creative thinking. 🧪💻📐
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johnkitchin.bsky.social @johnkitchin.bsky.social · 24/07/2025
4️⃣ Practice asking why and how. That kind of thinking is exactly what ChemEs do every day. 💭🔬 5️⃣ Start now. Start small. But start! The world needs your ideas. 🌎🚀 #HighSchoolSTEM #FutureEngineer #STEMEducation #STEMTeachers #ExploreEngineering
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johnkitchin.bsky.social @johnkitchin.bsky.social · 24/07/2025
3️⃣ Look for: 💥 Summer programs 💥 Lab tours 💥 Virtual events 💥 Competitions or science camps 4️⃣ Practice asking why and how. That kind of thinking is exactly what ChemEs do every day. 💭🔬
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johnkitchin.bsky.social @johnkitchin.bsky.social · 24/07/2025
1️⃣ You don’t have to wait until college to start thinking like a ChemE. 🧠 Here’s what you can do now. ⬇️ 2️⃣ 🔹 Take chemistry, physics, and calculus if you can 🔹 Join STEM clubs or science fairs 🔹 Try DIY science projects 🔹 Follow science creators online
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johnkitchin.bsky.social @johnkitchin.bsky.social · 23/07/2025
4️⃣ The best part? It’s like real-life problem-solving with a side of experimentation. 🧠⚗️ 5️⃣ If you love a challenge and like to tinker — you’ll love chemical engineering. 🧩🔥 #STEMisFun #ScienceRocks #STEMspiration #HighSchoolScience #NextGenEngineers
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johnkitchin.bsky.social @johnkitchin.bsky.social · 23/07/2025
2️⃣ Think: ✅ Color-changing reactions ✅ Giant lab equipment ✅ Building prototypes ✅ Solving mysteries with science 🔍🔬 3️⃣ You’ll break stuff, fix stuff, build cool things, and maybe even invent something world-changing. 🔧💥💡
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johnkitchin.bsky.social @johnkitchin.bsky.social · 23/07/2025
1️⃣ Wait — chemical engineering can be fun? Absolutely. We said it. 🎉🧪
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johnkitchin.bsky.social @johnkitchin.bsky.social · 22/07/2025
5️⃣ Whoever you are, there’s a place for you in ChemE. Bring your interests — and let’s build your future. 🧩🚀 #STEMForTeens #DreamBig #FutureSTEMLeaders #EngineerYourFuture #GirlsInSTEM
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johnkitchin.bsky.social @johnkitchin.bsky.social · 22/07/2025
3️⃣ Chemical engineering fits a wide range of personalities. Creative. Quiet. Analytical. Social. Driven. Curious. 🌈✨ 4️⃣ It’s not about being one “type.” It’s about using your strengths to make something amazing. 💪🔬
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johnkitchin.bsky.social @johnkitchin.bsky.social · 22/07/2025
1️⃣ There’s no one kind of chemical engineer — and that’s the best part. 🧠🎨 2️⃣ Are you: 🧪 The Experimenter? 🌱 The Planet Saver? 💡 The Inventor? 📊 The Strategist? 🎮 The Tech Tinkerer?
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johnkitchin.bsky.social @johnkitchin.bsky.social · 21/07/2025
This is for chemical engineering faculty positions. There is another one for Chemistry positions: docs.google.com/spreadsheets...
docs.google.com
The 2026 Chemistry Faculty Jobs List
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johnkitchin.bsky.social @johnkitchin.bsky.social · 21/07/2025
The 2025-2026 faculty job list is at docs.google.com/spreadsheets.... It is currently pretty sparse. If your department is hiring this year, consider adding it to this list!
docs.google.com
AY25-26 Chemical Engineering Faculty Jobs List
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johnkitchin.bsky.social @johnkitchin.bsky.social · 21/07/2025
4️⃣ It’s not just about your first job. It’s about options for your whole life. 🔓📊 5️⃣ Parents: ChemE is one of the most flexible and respected STEM degrees. Students: You can do anything with this background. 💸🌟 #STEMCareers #CollegePlanning #FutureEngineer #ParentsOfTeens #CareerExploration
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johnkitchin.bsky.social @johnkitchin.bsky.social · 21/07/2025
2️⃣ ChemE grads consistently rank among the top-paid engineers — and they work in dozens of industries. 📈💡 3️⃣ With a ChemE degree, you can go into: ✔️ Tech ✔️ Medicine ✔️ Business ✔️ Policy ✔️ Energy ✔️ R&D ✔️ Startups
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johnkitchin.bsky.social @johnkitchin.bsky.social · 21/07/2025
1️⃣ Want a career that’s meaningful and financially solid? Chemical engineering delivers. 💼💰🌎
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Reposted by @johnkitchin.bsky.social
Theory Department - FHI der MPG @thdept-fhi-mpg.bsky.social · 08/07/2025
👏 Congratulations to our alumnus Wenbin and collaborators, whose paper "Spin-informed universal graph neural networks for simulating magnetic ordering" is now online on @pnas.org ! 👏 🔗Paper link: www.pnas.org/doi/10.1073/... 📝Paper digest 👇
pnas.org
Spin-informed universal graph neural networks for simulating magnetic ordering | PNAS
The screening and discovery of magnetic materials are hindered by the computational cost of first-principles density-functional theory (DFT) calcul...
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johnkitchin.bsky.social @johnkitchin.bsky.social · 15/07/2025
📚 Lower the barrier to automated science—Claude-Light offers a hands-on platform for students and researchers to learn automation, design of experiments, and AI-driven optimization. Explore it here: doi.org/10.1063/5.02...
doi.org
The evolving role of programming and LLMs in the development of self-driving laboratories
Machine learning and automation are transforming scientific research, yet the implementation of self-driving laboratories (SDLs) remains costly and complex, and
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johnkitchin.bsky.social @johnkitchin.bsky.social · 15/07/2025
🚀 Generative models aren’t just for art—they can help scientists and engineers “solve the puzzle” of inputs and outputs. See how in “Solving an inverse problem with generative models”: doi.org/10.1039/D5DD...
doi.org
Solving an inverse problem with generative models
Inverse problems, where we seek the values of inputs to a model that lead to a desired set of outputs, are considered a more challenging problem in science and engineering than forward problems where ...
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johnkitchin.bsky.social @johnkitchin.bsky.social · 15/07/2025
🌐💻 Ever wish you could chat with your lab instruments? Learn how LLMs can select devices, write code, and even call functions to run real experiments—all explained in this paper: doi.org/10.1063/5.02...
doi.org
The evolving role of programming and LLMs in the development of self-driving laboratories
Machine learning and automation are transforming scientific research, yet the implementation of self-driving laboratories (SDLs) remains costly and complex, and
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johnkitchin.bsky.social @johnkitchin.bsky.social · 15/07/2025
🤩 Why gen-AI for inverse problems? It’s fast, flexible, and gives built-in confidence estimates. Perfect for science, engineering—or any “what-if” scenario. Check it out: doi.org/10.1039/D5DD...
doi.org
Solving an inverse problem with generative models
Inverse problems, where we seek the values of inputs to a model that lead to a desired set of outputs, are considered a more challenging problem in science and engineering than forward problems where ...
000
johnkitchin.bsky.social @johnkitchin.bsky.social · 15/07/2025
🎨 Say “I want this light output” and get the exact LED settings—no guesswork! See how generative AI and smart algorithms solve inverse problems in the lab: doi.org/10.1063/5.02...
doi.org
The evolving role of programming and LLMs in the development of self-driving laboratories
Machine learning and automation are transforming scientific research, yet the implementation of self-driving laboratories (SDLs) remains costly and complex, and
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johnkitchin.bsky.social @johnkitchin.bsky.social · 15/07/2025
📊 We compare four methods—classic math, backward models, Gaussian mixtures, and diffusion flows—to tackle inverse problems. Surprise: AI-driven generators stack up beautifully! Dive into the details: doi.org/10.1039/D5DD...
doi.org
Solving an inverse problem with generative models
Inverse problems, where we seek the values of inputs to a model that lead to a desired set of outputs, are considered a more challenging problem in science and engineering than forward problems where ...
000
johnkitchin.bsky.social @johnkitchin.bsky.social · 15/07/2025
🤖💡 From simple Python loops to advanced AI agents, this paper shows how programming and large language models can turbocharge scientific discovery in “self-driving” labs. Read now: doi.org/10.1063/5.02...
doi.org
The evolving role of programming and LLMs in the development of self-driving laboratories
Machine learning and automation are transforming scientific research, yet the implementation of self-driving laboratories (SDLs) remains costly and complex, and
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johnkitchin.bsky.social @johnkitchin.bsky.social · 15/07/2025
🎨 Imagine saying “I want this light intensity” and instantly getting the RGB settings. That’s exactly what our generative approach can do—conditioning on outputs to create inputs! Learn more: doi.org/10.1039/D5DD...
doi.org
Solving an inverse problem with generative models
Inverse problems, where we seek the values of inputs to a model that lead to a desired set of outputs, are considered a more challenging problem in science and engineering than forward problems where ...
000
johnkitchin.bsky.social @johnkitchin.bsky.social · 15/07/2025
🤖💡 From simple Python loops to advanced AI agents, this paper shows how programming and large language models can turbocharge scientific discovery in “self-driving” labs. Read now: doi.org/10.1063/5.02...
doi.org
The evolving role of programming and LLMs in the development of self-driving laboratories
Machine learning and automation are transforming scientific research, yet the implementation of self-driving laboratories (SDLs) remains costly and complex, and
010
johnkitchin.bsky.social @johnkitchin.bsky.social · 14/07/2025
🔬 Boundary-value problems demystified: solve real-world diffusion & reaction engineering examples with solve_bvp. Bonus section included! 🎁 👉 pointbreezepubs.gumroad.com/l/pycse-odes #ChemEng #STEM
pointbreezepubs.gumroad.com
Ordinary differential equations in Python
Ordinary differential equations (ODEs) are pervasive in science and engineering. You can solve these in Python with the scipy library. This booklet shows you how to solve first-order initial value ord...
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johnkitchin.bsky.social @johnkitchin.bsky.social · 14/07/2025
🚀 Accelerate your research & coursework: learn stiff solvers (Radau, BDF, LSODA), event detection, parameter sweeps & more! Perfect for STEM students & pros. 📈 👉 pointbreezepubs.gumroad.com/l/pycse-odes #Python #DataScience
pointbreezepubs.gumroad.com
Ordinary differential equations in Python
Ordinary differential equations (ODEs) are pervasive in science and engineering. You can solve these in Python with the scipy library. This booklet shows you how to solve first-order initial value ord...
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johnkitchin.bsky.social @johnkitchin.bsky.social · 14/07/2025
📘 Master differential equations in Python! Dive into solve_ivp, BVPs, phase portraits & more with hands-on Jupyter notebooks. Updated for Python 3.12.11 🐍 👉 pointbreezepubs.gumroad.com/l/pycse-odes  #STEM #SciPy #Engineering
pointbreezepubs.gumroad.com
Ordinary differential equations in Python
Ordinary differential equations (ODEs) are pervasive in science and engineering. You can solve these in Python with the scipy library. This booklet shows you how to solve first-order initial value ord...
000
johnkitchin.bsky.social @johnkitchin.bsky.social · 14/07/2025
Ready to transform your Python toolbox? “Optimization in Python” delivers practical insights, production-ready code, and deep expertise for solving your toughest STEM challenges. Available now: pointbreezepubs.gumroad.com/l/pycse-opti...
pointbreezepubs.gumroad.com
Optimization in scipy
In optimization we seek the best solution to a problem, often by minimizing some undesirable quantity, or maximizing a desirable quantity, sometimes with constraints that help determine where the best...
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johnkitchin.bsky.social @johnkitchin.bsky.social · 14/07/2025
Blend theory with practice: work through case studies in reactor cost minimization, portfolio optimization, and supply-chain mix design. Hands-on exercises that build intuition and confidence. Ready to dive in? pointbreezepubs.gumroad.com/l/pycse-opti...
pointbreezepubs.gumroad.com
Optimization in scipy
In optimization we seek the best solution to a problem, often by minimizing some undesirable quantity, or maximizing a desirable quantity, sometimes with constraints that help determine where the best...
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johnkitchin.bsky.social @johnkitchin.bsky.social · 14/07/2025
Linear programming made easy! Use scipy.optimize.linprog to maximize profits or minimize costs—no initial guess needed. Ideal for operations researchers and logistics engineers: pointbreezepubs.gumroad.com/l/pycse-opti...
pointbreezepubs.gumroad.com
Optimization in scipy
In optimization we seek the best solution to a problem, often by minimizing some undesirable quantity, or maximizing a desirable quantity, sometimes with constraints that help determine where the best...
000
johnkitchin.bsky.social @johnkitchin.bsky.social · 14/07/2025
Speed is everything. Discover how to supply analytic Jacobians/Hessians (or generate them automatically with JAX and numdifftools) to slash function calls and boost solver performance. Sharpen your #HighPerformanceComputing skills: pointbreezepubs.gumroad.com/l/pycse-opti...
pointbreezepubs.gumroad.com
Optimization in scipy
In optimization we seek the best solution to a problem, often by minimizing some undesirable quantity, or maximizing a desirable quantity, sometimes with constraints that help determine where the best...
000
johnkitchin.bsky.social @johnkitchin.bsky.social · 14/07/2025
Go global! Master stochastic strategies—differential evolution, basin hopping, annealing—and increase your chances of finding the best solution for tricky landscapes. Level up your #MachineLearning & #ComputationalScience workflows: pointbreezepubs.gumroad.com/l/pycse-opti...
pointbreezepubs.gumroad.com
Optimization in scipy
In optimization we seek the best solution to a problem, often by minimizing some undesirable quantity, or maximizing a desirable quantity, sometimes with constraints that help determine where the best...
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johnkitchin.bsky.social @johnkitchin.bsky.social · 14/07/2025
Constrained problems? No sweat. Learn to encode equality & inequality constraints—from reactor design to resource allocation—with real-world examples. Elevate your #ChemicalEngineering and #DataScience game: pointbreezepubs.gumroad.com/l/pycse-opti...
pointbreezepubs.gumroad.com
Optimization in scipy
In optimization we seek the best solution to a problem, often by minimizing some undesirable quantity, or maximizing a desirable quantity, sometimes with constraints that help determine where the best...
010
johnkitchin.bsky.social @johnkitchin.bsky.social · 14/07/2025
Tired of wrestling with scipy.optimize? “Optimization in Python” walks you step-by-step through minimization, bounds, constraints, and more with clear, ready-to-run code. Perfect for STEM students & pros! Grab your copy: pointbreezepubs.gumroad.com/l/pycse-opti...
pointbreezepubs.gumroad.com
Optimization in scipy
In optimization we seek the best solution to a problem, often by minimizing some undesirable quantity, or maximizing a desirable quantity, sometimes with constraints that help determine where the best...
000
johnkitchin.bsky.social @johnkitchin.bsky.social · 13/07/2025
📘 Written by a chemical engineering professor, this book shows you how Python is actually used in STEM: ✔ ODEs with solve_ivp ✔ Linear algebra with numpy.linalg ✔ Real-world stats with scipy.stats More here → pointbreezepubs.gumroad.com/l/pcyse… #STEMcareers #PythonProgramming
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johnkitchin.bsky.social @johnkitchin.bsky.social · 13/07/2025
Updated for Python 3.12 Get it here
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johnkitchin.bsky.social @johnkitchin.bsky.social · 13/07/2025
Working with lab data in Excel, Google Sheets, or text files? 🔍 This book shows you how to bring that data into Python and turn it into insight—with real lab examples. 🧪 Code meets the bench: [pointbreezepubs.gumroad.com/l/pycse…
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johnkitchin.bsky.social @johnkitchin.bsky.social · 13/07/2025
📘 Written by a chemical engineering professor, this book shows you how Python is actually used in STEM: ✔ ODEs with solve_ivp ✔ Linear algebra with numpy.linalg ✔ Real-world stats with scipy.stats More here → pointbreezepubs.gumroad.com/l/pcyse… #STEMcareers #PythonProgramming
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johnkitchin.bsky.social @johnkitchin.bsky.social · 13/07/2025
Students in STEM: Want your lab reports to stand out? 📈 This book gives you the computational tools to go from “meh” to “wow”—and saves you time while doing it. 🔗 pointbreezepubs.gumroad.com/l/pycse-labs
pointbreezepubs.gumroad.com
Python computations for lab courses
This booklet shows how to use Python in laboratory courses. It covers topics on reading data files, plotting data, statistical analysis of data and uncertainty quantification, and fitting models with ...
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johnkitchin.bsky.social @johnkitchin.bsky.social · 13/07/2025
Lab course + Python = 💥 This book is perfect for: 🧑‍🎓 Undergrads in lab courses 🧪 Researchers analyzing experiments 💼 Professionals refreshing Python skills Link: pointbreezepubs.gumroad.com/l/pycse-labs
pointbreezepubs.gumroad.com
Python computations for lab courses
This booklet shows how to use Python in laboratory courses. It covers topics on reading data files, plotting data, statistical analysis of data and uncertainty quantification, and fitting models with ...
000
johnkitchin.bsky.social @johnkitchin.bsky.social · 13/07/2025
Its for the best of times, and the wurst.
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Reposted by @johnkitchin.bsky.social
Paul J. Dauenhauer @pauldauenhauer.bsky.social · 13/07/2025
Great new work from Tedesco, Kitchin, and Laird on a computational framework for programmable catalysis for ammonia synthesis psecommunity.org/wp-content/p...
A Computational Framework for Cyclic Steady-State Simulation of Dynamic Catalysis Systems: Application to Ammonia Synthesis
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johnkitchin.bsky.social @johnkitchin.bsky.social · 13/07/2025
🚀 Want to level up your lab reports and data analysis? 📘 Python Computations for Science and Engineering Labs is your lab partner in code. Learn to read, plot, analyze & fit your data—like a pro. 👉 pointbreezepubs.gumroad.com/l/pycse-labs
pointbreezepubs.gumroad.com
Python computations for lab courses
This booklet shows how to use Python in laboratory courses. It covers topics on reading data files, plotting data, statistical analysis of data and uncertainty quantification, and fitting models with ...
010