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Olexandr Isayev 🇺🇦 🇺🇸

@olexandr.bsky.social

4.3K followers 1.1K following 780 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 · 9h

Mofia got their #chemnobel Chemistry Nobel prize 🏆

C&EN (Chemical & Engineering News) @cenmag.bsky.social · 16h

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 · 2d

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

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

Hopefully MLIPs soon 🥸

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

😎

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

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

Cathleen Crudden @cathleencrudden.bsky.social · 3d

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

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

Review is dead, long live Review!

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

In the US they are finally betting on Nuclear!

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media.tenor.com

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

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

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

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 · 5d

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 · 5d

Yay! Hello from Pittsburgh

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media.tenor.com

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

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 · 11d

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

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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 11d

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

Reposted by Olexandr Isayev 🇺🇦 🇺🇸

Markus Deserno @markusdeserno.bsky.social · 12d

I am super excited to announce that we have a tenure-track faculty position in biophysics open in the Department of Physics at Carnegie Mellon! 🧪

Interfolio link: apply.interfolio.com/174360

PLEASE, share widely across the blue skies!

Let me briefly explain what we're looking for:

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Tenure-track Position in Biophysics at Carnegie Mellon University, Department of Physics

Location: Pittsburgh, PA
Open Date: Sep 19, 2025

Description
The Department of Physics at Carnegie Mellon University invites applications for a tenure-track faculty position in biophysics. The appointment is intended to be at the Assistant Professor level, but exceptional candidates at a higher level may also be considered. We seek outstanding candidates with a strong record in cellular and subcellular biophysics. Topics of particular interest include, but are not limited to, uncovering how key characteristics of living systems arise from the interplay between supramolecular cellular structures, how the emergent cellular circuitry defines goals and enables robust decision making, and how metabolic resources are allocated. This encompasses understanding of how information is learned, stored, transduced, and processed across subcellular structures. Applicants with theoretical, data science, or experimental backgrounds within biological physics are encouraged to apply. The ideal candidate will strengthen and extend research programs of current biophysics faculty in the Department of Physics and collaborate with broader life science activities across many departments at CMU and the wider Pittsburgh area.

More details on Interfolio: https://apply.interfolio.com/174360

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Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 14d

STATEMENT FROM TYLENOL 🌶️🌶️🌶️

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 15d

That’s why it’s “pseudo” 🤓

Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social · 15d

Drug discovery projects- yes absolutely! 💯 But it doesn’t change the subject above 😈

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

The docking score is very expensive (pseudo) random number generator! 😎 #compchem #compchemsky #unpopularopinion

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Reposted by Olexandr Isayev 🇺🇦 🇺🇸

CMU Mellon College of Science @cmuscience.bsky.social · 16d

CMU and UNC researchers used AI and human expertise to create a new rubber-like material that’s both strong and flexible — something that’s been difficult to achieve. This breakthrough could speed up the design of better materials for shoes, cars and medical devices.
www.cmu.edu/mcs/news-eve...