Yeah, but you are cheating. You started doing MD so you can calculate the trajectories!

Can I apply?

Hard to imagine a better awardee. Congrats !
As always, lots of clever scientists, lots of good people, but the intersection of those two sets is not as big as one would like. Frank is clearly in that set, as shown by his first instinct and action being to thank the people that made it all possible.

Thanks everyone. It was just sleeping, not fully dead !

#chemsky peeps. I am trying to locate the NIST Computational Chemistry Comparison and Benchmark database, that should be located at cccbdb.nist.gov. I cannot get to it now. I get errors such as bad gateway, etc.
It had diverse and inclusive datasets, maybe they killed it ? #compchem

Clustering hundreds of millions of molecules in a single workstation is now a possibility!
Check the new code: github.com/mqcomplab/bb...

Amazing, and not surprising! Europe is lucky to have you.

If only the US could learn ...

Grand Central Station, NYC. #photography

Thanks!!! What are the white "stripes"? Congrats, one of the best photos I have seen.

Amazing! Would you please, please, share technical details?

Congrats!!

The Women Make COMP symposium is back for the Spring 2026 ACS meeting! Undergraduate, graduate, and post-doctoral scholars are all eligible. Don’t miss this great opportunity to present your research and grow your professional network! Application: docs.google.com/forms/d/e/1F...

And completing the trifecta! ANI MLIP now can be run directly from Amber. chemrxiv.org/engage/chemr...

Nice!!!

🚨 PLEASE RT 🚨

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Find an ACS COMP Executive Committee member and grab a few! 🧪💻🎉

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Antifascist march in DC.

#chemsky peeps. If you are in DC before ACS, come join us at refusefascism.org/events/prote...

If you are early for ACS come join us at refusefascism.org/events/prote...

Second paper of triad. Very nice review of ML/MM methods. Great work from Ignacio Pickering and my collaborators at the University of Buenos Aires. chemrxiv.org/engage/chemr...

The Standing Stones

DeLonghi has found a nice loophole to avoid tariffs: since they do not apply to computers, let’s rebrand smart coffee machines as computers! www.delonghi.com/en-gb/e/delo...