Olexandr Isayev 🇺🇦 🇺🇸
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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- "There's some good in this world, Mr. Frodo, and it's worth fighting for."
- 💯accurate
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- Reposted by Olexandr Isayev 🇺🇦 🇺🇸🚨Out now!⚛️🛠️We celebrate the 100th anniversary of the advent quantum mechanics with a Focus issue that covers recent breakthroughs, unmet challenges, and pathways for moving forward to address such challenges. www.nature.com/collections/... 🧵(1/13)
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View full threadReposted by Olexandr Isayev 🇺🇦 🇺🇸In a Perspective, @olexandr.bsky.social and colleagues discuss the development of MLIPs through the lens of four key challenges: chemical accuracy, computational efficiency, interpretability, and universal generalizability. www.nature.com/articles/s43... #compchem #chemsky 🧵(5/13)
- It seems that sessions at #Pacifichem will be very well attended 😉 Hey @acs.org , did you bribe the mother nature? 🤣
- Happy Thanksgiving 🦃 for those who observe it! #Thanksgiving
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- Slowly getting back to life after submitting Network of Programmable Cloud Laboratories proposal. How is your week going? #AcademicChatter #ChemSky
- WooHoo! @chemrxiv.org has just crossed 10,000 papers (preprints) in the Theoretical and computational chemistry section! #compchem This is the largest section so far... chemrxiv.org/engage/chemr...
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- Hey tweeps, #compchem trivia question: how old is Klaus Ruedenberg, when he published paper in JACS last week. 😉 BTW it’s very interesting paper too pubs.acs.org/doi/10.1021/...
- Sounds about right!
- Theorists handling QM software calculations to the experimentalists 🤓 #chemsky #compchemsky
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- We live in the future now! 😎
- Great @cmuchemistry.bsky.social collaboration with @isaacgb9.bsky.social ML-Accelerated Screening of Hydroquinone Analogs for Proton-Coupled Electron Transfer. We present AIMNet2 MLIP calculations of average BDFE for the 2H+/2e− dehydrogenation chemrxiv.org/engage/chemr... #compchem #chemsky
- Meanwhile Halloween 🎃 #Halloween2025 in #Pittsburgh
- Happy Halloween 🎃 #Halloween2025
- We are witnessing history. Hurricane Melissa is tied with the Labor Day Hurricane of 1935 as the strongest storm (wind speed to 185mph & lowest pressure) to ever make landfall in the Atlantic Basin.
- We are witnessing history. Hurricane Melissa is tied with the Labor Day Hurricane of 1935 as the strongest storm (wind speed to 185mph & lowest pressure) to ever make landfall in the Atlantic Basin.
- I did not realize that one needs an article on the subject! On a side note, 🦋 has been a ghost town lately… #academiclife
- Reposted by Olexandr Isayev 🇺🇦 🇺🇸📰C-CAS in the News 📰 This article highlights the work of C-CAS PIs @olexandr.bsky.social and @gabegomes.bsky.social as well as trainees Robert MacKnight, Nick Gao, and Liliana Gallegos. www.cmu.edu/mcs/news-eve... #chemistry #computerscience #nsf #chemsky
- Moment when you served Instagram Ad and realized, wait a minute… I know this person < Leo DiCaprio meme>! Good test if you are #compchem nerd 😎 CC: @chemprofcramer.bsky.social
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- Reposted by Olexandr Isayev 🇺🇦 🇺🇸[Not loaded yet]
- That’s no ballroom…
- Happy #caturday
- Random AI startups offering jobs to fired META/FAIR researchers
- K for karma 😅
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- Did AWS us-east-1 take you down too? 🥸
- Reposted by Olexandr Isayev 🇺🇦 🇺🇸🚨New Paper Alert 🚨 pubs.acs.org/doi/10.1021/... Congratulations to authors Nicholas Casetti, Dylan Anstine, @olexandr.bsky.social , and Connor Coley! #ccas #nsf #chemistry #computerscience #chemsky #datachemistry
- Happy #Caturday 🐈
