Pavlo O. Dral
pavlodral.bsky.social
Prof. at Xiamen University and NCU in Torun, co-founder of Aitomistic. Researcher and educator in AI-enhanced computational chemistry. All opinions expressed are mine and do not necessarily reflect those of my employers.
👤 Joined on 16 March 2025
59
Followers
38
Following
58
Total Posts
📜 Kullanıcı Geçmişi
- 16 Mar 2025, 03:46
🎉 Bluesky'e katıldı - İlk kullanıcı adı:
@pavlodral.bsky.social
🚫 Blokladığı Kullanıcılar
❤️ Beğendiği Gönderiler
Check out this perspective on agents for computational chemistry. You can try Protomia agents on the Aitomistic Hub at aitomistic.xyz! See aitomistic.com/protomia/doc... for what it can do.
Show Post
Computational Chemistry, quo vadis? Very interesting work by @pavlodral.bsky.social #theochem #compchem #theochem
Show PostFind a transition state — just by chatting. One prompt → an NEB path → the TS → its imaginary mode → IRC → the reaction energy diagram. Submitted, monitored & analyzed for you. No commercial QM; powered by AIQM3. Free aitomistic.xyz #compchem #mlchem #AIagents #AI4Science
Show Post
3/3 It was great fun to work with my collaborators at Xiamen Uni, @pavlodral.bsky.social and Yiyang Cui. rdcu.be/fqKLi
Show Post2/3 About a year ago I asked myself how these aspects come together in Chinese characters and it turned out it's a convoluted history of nerds proposing and debating their ideas how a character for say Lithium should look and sound like.
Show Post