Sam Blau
samblau.bsky.social
Research scientist & computational chemist at Berkeley Lab using HT DFT workflows, machine learning, and reaction networks to model complex reactivity.
👤 Joined on 14 November 2024
2244
Followers
340
Following
36
Total Posts
📜 Kullanıcı Geçmişi
- 14 Kas 2024, 06:18
🎉 Bluesky'e katıldı - İlk kullanıcı adı:
@samblau.bsky.social
🚫 Blokladığı Kullanıcılar
❤️ Beğendiği Gönderiler
For a more digestible summary of our recent @natcomputsci.nature.com article, here's the research brief that @samblau.bsky.social and I wrote... complete with a #BehindThePaper tidbit that thankfully has less drama than a VH1 Behind the Music episode (free link: rdcu.be/eUVIw)
Show PostOur manuscript on deep learning of upconverting nanoparticle heterostructures w/ @samblau.bsky.social is finally out in @natcomputsci.nature.com! See 🧵for links to free access via Readcube and chemrxiv. @berkeleylab.lbl.gov @molecularfoundry.lbl.gov @mitcheme.bsky.social
Show Post
Interested in learning more about our recently published OMol25 dataset and the advances that it's bringing to atomistic machine learning? Check out this talk that my boy @samblau.bsky.social gave as part of the "Modeling Talk Series". #CompChem ⚗️ 🧪 #SciML
Show Post
ORCA 6.1 is out! Now integrating ML potentials with the ExtOpt driver. Here is the resulting ensemble of a GOAT conformational search using the UMA machine-learning model potential on a Pd-carbene metal complex. Might be interesting for your research too @samblau.bsky.social
Show Post