A 'side project' of mine just got published in ChemTexts! (linked in last post) 1/3 I always really loved etymology and figuring out where certain words come from. The names of chemical elements are particularly interesting, as meaning, phonetics and societal stuff gets mashed together.

Ever wanted to run MD simulations of entire proteins in water with DFT accuracy? Meet AMPv3-BMS25, the latest iteration of our AMP multiscale neural network potential by @rinikerlab.bsky.social Read more in the preprints: doi.org/10.26434/che... doi.org/10.26434/che...

I'll be at Pacifichem this week, hit me up if you wanna have a coffee! ☕

Join us today from 4:30 to 7:30 PM @neuripsconf.bsky.social Hall C,D,E #1006 for our poster on SmoothDiff, a novel XAI method leveraging automatic differentiation. 🧵1/6

I'm in San Diego this week for Neurips, hit me up if you wanna have a coffee ☕

physics is a branch of chemistry

I'm in Oslo this week for WATOC, hit me up if you wanna have a coffee ☕

We have a new paper on diffusion!📄 Faster diffusion models with total variance/signal-to-noise ratio disentanglement! ⚡️ Our new work shows how to generate stable molecules in sometimes as little 8 steps and match EDM’s image quality with a uniform time grid. 🧵

We are already on Day 3 of the workshop "Density Functional Theory and Artificial Intelligence learning from each other" in sunny CECAM-HQ. This afternoon, Fang Liu (Emory University) & Michael Herbst (EPFL) will present their talks.

our GPU cluster tonight after the ICML deadline

You think Jacobian and Hessian matrices are prohibitively expensive to compute on your problem? Our latest preprint with @gdalle.bsky.social might change your mind! arxiv.org/abs/2501.17737 🧵1/8

We submitted our stuff to the ICML today at lunch and I am so happy about it. It's juicy, it might get rejected, but it has the heart in the right place :]

A mapping of how Bluesky is becoming the new Scientific Twitter mikeyoungacademy.dk/bluesky-is-e...

Bluesky is emerging as the new platform for science - Mike Young Academy

Scientific Twitter is about to find its true successor. And it is not X. This, our latest release, shows that the Bluesky network of scientists is growing — and growing.

mikeyoungacademy.dk

Is "simulated annealing" really the best word for what it describes?

The Pillar of Autumn (i know, i know)

Week 2 actively using Bluesky

in 10 years we will all be like 'remember when they made all these starter packs on bsky?'

One thing I can't square with the German culture of being on time is the always-late DB _sigh_

Stefan Gugler⚗️化学@stevain.bsky.social · 2y ago

Train Berlin-Stuttgart was 6.5 h and juuuust bearable. Nice!

Train Berlin-Stuttgart was 6.5 h and juuuust bearable. Nice!

a lot of new connections due to the chemistry lists going around ... it's cool but also let's not make it too linkedin-y with the professionalism

while gpt helps a lot with very technical writing, if the text should have any wit, any juice, anything reminiscent of prose, it's even more useless than i thought.

im writing a pop sci article and forgot how difficult it is, uff

aspiring knuth--luxemburg brainchild

how to get into the discourse on bsky :S

bsky is still boring but otoh, i just got almost a dozen NameNumber3932x89 followers on Twitter this week, so idk. I miss early social media :S

Time to speedrun zürich airport again

is it stimming, tweaking, or bad monday when you draw the metro map on a napkin

Mono-moding for the life of me

its the dawn of the new millennium and you're somehow listening to panchiko