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Olexandr Isayev 🇺🇦 🇺🇸

@olexandr.bsky.social

4.3K followers 1.1K following 790 posts

Chemistry professor at CMU. Connecting chemical sciences with AI #MachineLearning and automated experimentation. #tarheels fan. Care: #design, #photography #Ukraine #cats🐈 Rants are mine

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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · Mar 18

Our latest ChemRxiv preprint, "Transferable #MachineLearning Interatomic Potential for Pd-Catalyzed Cross-Coupling Reactions" Collaboration with @nsf-ccas.bsky.social @gabegomes.bsky.social @bobbypaton.bsky.social chemrxiv.org/engage/chemr... #compchem #chemsky

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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 2d

Happy #Caturday 🐈

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 3d

Certainly not 😅

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 3d

Indeed!

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 3d

History repeats itself!

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 3d

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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 3d

No! 😅 en.wikipedia.org/wiki/Betteri...

Betteridge's law of headlines - Wikipedia

en.wikipedia.org

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 4d

DNA seq is not chemistry… just sayin 🥸

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 5d

Sadly not much changed in software and code reproducibility in 60 (!!!) years

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 5d

Posting russian propaganda with maps of occupied Ukraine is not very wise:( Those people are clearly in favor of mass killing of civilians and innocent population of Ukraine

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 5d

Underrated paper! I like their use of “fair agreement” and “reasonable agreement “ with experiment 😉

Reposted by Olexandr Isayev 🇺🇦 🇺🇸

Tim Schmidt @schmidtim.bsky.social · 5d

#chemnobel #chemsky #ozchem

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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 5d

Mofia got their #chemnobel Chemistry Nobel prize 🏆

C&EN (Chemical & Engineering News) @cenmag.bsky.social · 5d

The 2025 #NobelPrize in Chemistry has been awarded to Susumu Kitagawa, Richard Robson and Omar M. Yaghi “for the development of metal–organic frameworks.” Stay tuned for the full story to come! cen.acs.org/people/nobel...

#ChemNobel #Chem #Chemistry #chemsky 🧪

The 2025 chemistry Nobel goes to MOFs

Susumu Kitagawa, Richard Robson and Omar M. Yaghi win the prize for developing metal–organic frameworks

cen.acs.org

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 7d

Pytorch models can be compiled as a C library. You can use models directly without the Python stack

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 7d

Hopefully MLIPs soon 🥸

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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 7d

😎

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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 8d

Team Maty for #ChemNobel 💪🏻 @cmuchemistry.bsky.social

Cathleen Crudden @cathleencrudden.bsky.social · 8d

My predictions: Matyjaszewski and Sawamura or Tao Zhang, or something amazing I haven’t heard of before.

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 9d

Review is dead, long live Review!

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 10d

In the US they are finally betting on Nuclear!

a line drawing of a factory with the website gifs.com below

ALT: a line drawing of a factory with the website gifs.com below

media.tenor.com

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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 10d

Nvidia Corp market cap now exceeds that of all of big pharma combined! 😱 #chemsky

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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 10d

If you want to be forward looking: setup your favorite LLM with MD agents integrated as an app. You can fully run and analyze simulations just by talking to the damn system 😎

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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 10d

Very interesting! However in the current grand scheme of AI, where dedicated power plants are constructed just to power new data centers, the environmental impact of #compchem is likely negligible

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 10d

Yay! Hello from Pittsburgh

a man wearing a hat and a tank top with the word hello below him

ALT: a man wearing a hat and a tank top with the word hello below him

media.tenor.com

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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 10d

Emma Bouchard, a graduate student in the lab and @cmuchemistry.bsky.social delivers her literature seminar “Self-Driving Laboratories for Drug Discovery”, standing room only! #compchem #labautomation

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 16d

Look, who showed up in Pittsburgh? 😎 @chemjobber.bsky.social

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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 16d

Happy #caturday! Timeline cleanse - please post your pets 🐱