@johnkitchin.bsky.social
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
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...
doi.org
July 31, 2025 at 8:05 PM
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
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. 🧪💻📐
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. 🧪💻📐
July 25, 2025 at 12:31 PM
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. 🧪💻📐
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. 🧪💻📐
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
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
July 24, 2025 at 12:31 PM
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
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
1️⃣ Wait — chemical engineering can be fun?
Absolutely. We said it. 🎉🧪
Absolutely. We said it. 🎉🧪
July 23, 2025 at 11:44 AM
1️⃣ Wait — chemical engineering can be fun?
Absolutely. We said it. 🎉🧪
Absolutely. We said it. 🎉🧪
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?
2️⃣ Are you:
🧪 The Experimenter?
🌱 The Planet Saver?
💡 The Inventor?
📊 The Strategist?
🎮 The Tech Tinkerer?
July 22, 2025 at 2:44 PM
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?
2️⃣ Are you:
🧪 The Experimenter?
🌱 The Planet Saver?
💡 The Inventor?
📊 The Strategist?
🎮 The Tech Tinkerer?
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!
AY25-26 Chemical Engineering Faculty Jobs List
docs.google.com
July 21, 2025 at 12:32 PM
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!
1️⃣ Want a career that’s meaningful and financially solid?
Chemical engineering delivers. 💼💰🌎
Chemical engineering delivers. 💼💰🌎
July 21, 2025 at 12:15 PM
1️⃣ Want a career that’s meaningful and financially solid?
Chemical engineering delivers. 💼💰🌎
Chemical engineering delivers. 💼💰🌎
Reposted
👏 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
! 👏
🔗Paper link: www.pnas.org/doi/10.1073/...
📝Paper digest 👇
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...
www.pnas.org
July 8, 2025 at 10:08 AM
👏 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
! 👏
🔗Paper link: www.pnas.org/doi/10.1073/...
📝Paper digest 👇
📚 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...
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
doi.org
July 15, 2025 at 3:37 PM
📚 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...
🚀 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...
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 ...
doi.org
July 15, 2025 at 3:33 PM
🚀 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...
🌐💻 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...
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
doi.org
July 15, 2025 at 2:57 PM
🌐💻 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...
🤩 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...
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 ...
doi.org
July 15, 2025 at 2:54 PM
🤩 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...
🎨 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...
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
doi.org
July 15, 2025 at 2:47 PM
🎨 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...
📊 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...
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 ...
doi.org
July 15, 2025 at 2:43 PM
📊 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...
🤖💡 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...
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
doi.org
July 15, 2025 at 2:40 PM
🤖💡 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...
🎨 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...
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 ...
doi.org
July 15, 2025 at 2:37 PM
🎨 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...
🤖💡 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...
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
doi.org
July 15, 2025 at 2:36 PM
🤖💡 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...
🔬 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/l/pycse-odes
#ChemEng #STEM
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...
pointbreezepubs.gumroad.com
July 14, 2025 at 6:49 PM
🔬 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/l/pycse-odes
#ChemEng #STEM
🚀 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/l/pycse-odes
#Python #DataScience
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...
pointbreezepubs.gumroad.com
July 14, 2025 at 6:32 PM
🚀 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/l/pycse-odes
#Python #DataScience
📘 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
#STEM #SciPy #Engineering
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...
pointbreezepubs.gumroad.com
July 14, 2025 at 6:22 PM
📘 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
#STEM #SciPy #Engineering
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...
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...
pointbreezepubs.gumroad.com
July 14, 2025 at 6:08 PM
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...
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...
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...
pointbreezepubs.gumroad.com
July 14, 2025 at 5:39 PM
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...
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...
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...
pointbreezepubs.gumroad.com
July 14, 2025 at 3:59 PM
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...
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...
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...
pointbreezepubs.gumroad.com
July 14, 2025 at 2:37 PM
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...