Pujan Ajmera
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Pujan Ajmera
@ajmera-pujan.bsky.social
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Ph.D. Candidate in Theoretical and Computational Chemistry @ UCLA

Huge fan of understanding non-trivial quantum mechanic effects in biological systems
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Reposted by Pujan Ajmera
alexandrovalab.bsky.social
We conducted a #ChemNobel prediction poll in the group on the #NobelPrize in Chemistry Eve!

(PS: we might be a little biased 😉) #chemsky #compchem #compchemsky
Bar chart titled “Chemistry Nobel Prize 2025 Prediction Poll.” The chart lists predicted discoveries and scientists, sorted by increasing number of votes. Biomolecular Condensates — Brangwynne, Hyman, Rosen (1 vote) Chemical Biology — Chi-Huey Wong, Stuart Schreiber, Peter Schultz (1 vote) Reticular Chemistry — Omar Yaghi, Makoto Fujita, Richard Robson (2 votes) Controlled Radical Polymerization — Ezio Rizzardo, Krzysztof Matyjaszewski, Mitsuo Sawamoto (2 votes) C–N Coupling — Stephen Buchwald, John Hartwig (2 votes) DNA Synthesis — Marvin Carruthers (2 votes) Electron Transfer — Harry Gray, Jacqueline Barton (2 votes) Next-gen DNA Sequencing — David Klenerman, Shankar Balasubramanian, Jonas Mayer (3 votes) Single-Atom Catalysts — Tao Zhang et al. (4 votes) Ab initio Molecular Dynamics — Roberto Car, Michele Parrinello (6 votes) Ab initio MD received the highest number of votes in the poll.
October 8, 2025 at 3:14 AM
Reposted by Pujan Ajmera
alexandrovalab.bsky.social
✨Exciting news - the Alexandrova Group is now on Bluesky!✨

Hello, friends on #chemsky and #compchemsky. We're glad to be here! Stay tuned for the latest #compchem 💻 research and news from the lab!
October 3, 2025 at 10:45 PM
Reposted by Pujan Ajmera
faccts.de
ORCA 6.1 will be released tomorrow after the online event to which you are all invited! As a final appetiser, we have a sneak preview of some new methods that will be available in the new version.

#ORCA61 #ORCAqc #CompChem #QuantumChem #TheoChem #FACCTs #MPIKOFO #ChemSky #CompChemSky
New methods in ORCA 6.1. Bubblepoles, MCPDFT, ADFT, NEVPT3, NEVPT4(SD)
June 16, 2025 at 11:03 AM
Reposted by Pujan Ajmera
davidgerard.co.uk
shel silverstein on the LLM, 1981
HOMEWORK MACHINE The Homework Machine, oh the Homework Machine Most perfect contraption that's ever been seen. Just put in your homework, then drop in a dime, Snap on the switch, and in ten seconds' time, Your homework comes out, quick and clean as can be. Here it is — "nine plus four?" and the answer is "three." Three? Oh me ... I guess it's not as perfect As I thought it would be.
June 10, 2025 at 7:34 PM
Reposted by Pujan Ajmera
smcgrath.phd
🧪In a JAMA viewpoint paper, the FDA expresses its intent to use AI for first-pass reviews of drug applications to significantly increase efficiency.

This is premature and we haven't seen the evidence AI is ready for this use case.

Link to the paper: jamanetwork.com/journals/jam...

#MedSky #MLSky
F.D.A. to Use A.I. in Drug Approvals to ‘Radically Increase Efficiency’
With a Trump-driven reduction of nearly 2,000 employees, agency officials view artificial intelligence as a way to speed drugs to the market.
www.nytimes.com
June 10, 2025 at 9:11 PM