@corymsimon.bsky.social
applying math, computation, and machine learning to problems in chemical engineering | associate professor, Oregon State University | views mine https://simonensemble.github.io/
my PhD student G. Fabusola trained and tested machine learning algorithms to parse the response pattern of a conductive-MOF sensor array from K. Mirica's group!
👃 the electronic nose could detect and differentiate toxic gases and H₂S/SO₂ mixtures at ppm-levels.
pubs.acs.org/doi/10.1021/...
We interrupt our regular programming to announce…
08.10.2025 09:54 — 👍 80 🔁 22 💬 1 📌 3pretty cool!
26.09.2025 15:31 — 👍 0 🔁 0 💬 0 📌 0
in a “it’s a small world” moment, I ran into @bessvlai.bsky.social at Case Western Reserve University in Cleveland, OH. she was giving a seminar in the chemistry department; me, in chemical engineering. great to see you, Bess!
22.09.2025 17:35 — 👍 3 🔁 0 💬 1 📌 1
new preprint,
"adaptive allocation of Monte Carlo samples for efficient, multi-fidelity computational screening of metal-organic frameworks"
feedback welcome!
chemrxiv.org/engage/chemr...
"guidelines for multi-fidelity Bayesian optimization of molecules and materials"
our News & Views article in Nature Computational Science.
rdcu.be/ext6h
My latest for @nytimes.com -- please repost so your followers can see this for free. www.nytimes.com/interactive/...
30.06.2025 10:33 — 👍 72 🔁 51 💬 2 📌 4beavers are cool. glad our mascot is a beaver.
> The fur trade transformed North America but it nearly destroyed the population of several fur-bearers like muskrats and beavers who are critically important to their ecosystem.
🥺
🍷solving a linear program for optimal wine blending in Julia
simonensemble.github.io/pluto_nbs/wi...
😅 yeah, I think he wanted to go on a walk!
10.05.2025 18:17 — 👍 1 🔁 0 💬 0 📌 0
a post-fermentation blend of *nine* white wines from Oregon! and a linear program for wine blending.
10.05.2025 02:15 — 👍 5 🔁 0 💬 1 📌 0
🚰 "Optimizing mixtures of metal–organic frameworks for robust and bespoke passive atmospheric water harvesting" by C. Harriman, Q. Ke, T. Vlugt, A. Howarth, C. Simon.
feedback welcome on our ChemRxiv preprint:
chemrxiv.org/engage/chemr...
fascinating: atmospheric water harvesting by indigenous populations on the Canary Islands long ago.
Kennedy & Boreyko. “Bio‐inspired fog harvesting meshes: a review”. Advanced Functional Materials. 2023.
13.04.2025 02:49 — 👍 10 🔁 4 💬 0 📌 0
finally got to meet Mark Allendorf from Sandia National Lab! currently co-director of the DOE Hydrogen Materials – Advanced Research Consortium (HyMARC). been following his work since grad school.
12.04.2025 01:37 — 👍 21 🔁 1 💬 0 📌 0
with @cgbischak.bsky.social and @shijingsun.bsky.social at the Automating Chemical Labs Scialog in Tucson! 🌵
05.04.2025 15:52 — 👍 4 🔁 0 💬 0 📌 0
me with the shipwreck of Peter Iredale on the Oregon coast. happened in 1906. everyone survived.
31.03.2025 04:13 — 👍 1 🔁 0 💬 0 📌 0
💦 our recent paper, published in Chemical Engineering Science:
can we infer the cross-sectional area profile of an unseen solid contained in a draining tank from its liquid level dynamics?
🔙 we employ Bayesian statistical inversion to do so.
www.sciencedirect.com/science/arti...
interesting. so e.g. given an antibiotic used by both humans and for animals in agriculture, we could indirectly attribute the antibiotic in a water sample e.g. 90% from humans, 10% from an animal farm, based on the sucralose concentration there being high (unless the animals get sweetened hay 😆).
14.03.2025 18:23 — 👍 2 🔁 0 💬 0 📌 0😍 please tell me their name so I can look up their work! the optimal sensor placement is a very cool one.
13.03.2025 02:07 — 👍 1 🔁 0 💬 1 📌 0
(inverse problem for my class:)
🏭 suppose:
1. a monitoring station at a lake measures the concentration of a pollutant every two hours.
2. a factory injected pollutant into a river upstream.
from the monitoring station's time series data, infer when and how much the factory polluted the river.
🎥 Chunking Express (1994)
> somehow I've become very cautious. when I put on a raincoat, I put on sunglasses too. who knows when it will rain, or when it will turn out sunny?
so this cancer drug Taxol was discovered from the bark of this Pacific yew tree that grows naturally in Oregon! will be on the lookout for one.
pmc.ncbi.nlm.nih.gov/articles/PMC...
a cool and beautiful flower that turns from opaque white to translucent when exposed to water. wonder if this material/chemistry has some application (e.g. humidity sensing).
www.thisiscolossal.com/2015/07/skel...
Edward Hopper
Soir Bleu
1914
> no one is like anybody else. everybody is separated from everybody else. [...] one is always searching for a meaning somewhere else, in a costume or in a prostitute or in a drink or in a cigarette or in a party. - Rick Brettell
celebrated Oslo's sixth birthday yesterday! 🎉
05.03.2025 18:30 — 👍 4 🔁 0 💬 0 📌 0
Dantzig rejected Berkeley's offer for a faculty position and returned to the Air Force. 😆
27.02.2025 06:06 — 👍 2 🔁 0 💬 0 📌 0
Explain to me like I’m 10 years old: Why would we use our limited renewable energy for carbon dioxide removal instead of using it to curtail the use of fossil fuels?
15.02.2025 08:51 — 👍 850 🔁 144 💬 69 📌 15
An annotated diagram of the forces on an iceberg out of equilibrium.
Iceberg dynamics in #Python with #Matplotlib scipython.com/blog/iceberg...
05.01.2025 14:24 — 👍 11 🔁 4 💬 1 📌 0
The Best Choice Problem: calculating the optimal
stopping rule using Markov chain theory
simonensemble.github.io/Secretary_Pr...
