Jarvist Moore Frost

No, I don't think this is true - the kites support the weight, but only by adding to the strain (from right to left in the comic).

So once you have N kites, you need a string which is N times stronger than the one for the first kite.

Doesn't this have the same problem as constructing a space elevator, in that as you add more kites, your string needs to get stronger (and therefore thicker/heavier) to take the strain?

For #compchem tweeps, an end of an era - ccl.net will shut down

My first post on the list ~ 27 years ago started me down the path of QM and then comp chem

Really nice long-form post on how the ML architecture AND the hardware (accelerators, GPUs and TPUs) evolved together.

I think it's always very important in science to be reflective on where how the technology (i.e. hardware) and science (i.e. software) develop in tandem, often as a tick-tock.

Version 2.0 of Gaston, a Julia package for plotting using gnuplot, has been released: mbaz.github.io/Gaston.jl/v2/

#JuliaLang #gnuplot

Is there a change-log anywhere? Why the changes to the API?

Mainly I think they need a lot of scaffolding and modelling: book clubs, journal clubs, frequented by more senior scientists.

I have a smorgasbord of links to different useful things I've found over the years in my Group guide.

e.g.
www.sciencemag.org/careers/2016...
nesslabs.com/feynman-tech...

WONDERFUL!

(But how is your coffee machine & breakout space? Always my favourite aspect of a CECAM conference!)

Oh, and Cook's book which is almost a cookbook (hah!) for writing a code. Has Fortran listings at the end of the chapters. It's kind of an 'implementation' companion to Szabo and Ostlund.

www.amazon.co.uk/Handbook-Com...

I think an UG Comp Chem course based in writing bits of code (maybe using PySCF or similar as a backend & to calculate all the fiddly integrals) would be really excellent and lead to great learning outcomes.

(Just don't tell my HoD or they might make me teach it!)

Probably not this one either, but Thijssen's book on "Computational Physics" is really on computational condensed matter, and you write an atom HF and DFT code, and LAPW method for solids, then MC, and (PI)MD. I really rate it.

Fortran codes provided by the author: www.cambridge.org/gb/universit...

Here's a free link to the article if anyone is interested. It's a very depressing read: archive.ph/2025.05.07-1...

I could not resist adding character-level 2-gram and 3-gram generators. (Not much extra effort at all...)

Quite impressive really!

"Happecay;
Fors' flove."

"How, agaze sed,
Calst me
And speandst be of see:"

jarvist.github.io/ijulia-noteb...

jarvist.github.io/ijulia-noteb...

Online Julia Pluto notebook: you should be able to read the code, run it on Binder / download to play yourself.

In many ways it is easier to write a program than to explain clearly to a person...

Snippet of a Julia notebook. Generated Sonnet text is: By their virtue rudely strumpeted, And you, but me any mother's glass, and straight redeem5 In winged speed no motion of the hungry eyes of welfare, found it may character was not eased by night thy fingers, me alone, Then will excuse my love well knows; yet to me thence? Till my gaol: And burn the seasons have I might dart their hawks or flowers I say so.14 O SONNET 108 What's new to greet me still: But thou this composed wonder of thee I have astronomy, But all forwards do any purpose. Privacy policy in vassalage Thy looks the

I'm off to a local high-school tomorrow to give an access / interested in science / Imperial talk.

I wanted to explain that ChatGPT wasn't magic, so am going to get the students to make a 2-gram word 'generative model' out of sampling Shakespeare sonnets, BY HAND.

It works really well!

But in truth this is a totally false dichotomy.

Without computational theory you cannot interpret the experiments (or even, figure out what you've made); without experiments we have no empirical physical reality to ground our calculations in.

Pah! More like:

Output: Actual predictions based on actual knowledge of where actual atoms are.

vs.

Output: Brick dust! Did you buy the 99% or 99.9% stuff from Sigma Aldrich? Is it even crystalline? Anyone got a spare £bn synchrotron and neutron beam so we try and figure out what we made?

Part 1 was superb, a lot of plain-speaking and clarity about what's happening. I've been looking forward to listening to part 2

Not just trajectories: the whole reproducible workflow, including computer readable forcefields, input files, and analysis methods.

I've come back to MD after being away for 15 years, and it's terrifying how behind electronic structure the community is.

Inside arXiv—the Most Transformative Platform in All of Science Modern science wouldn’t exist without the online research repository known as arXiv. Three decades in, its creator still can’t let it go.

Modern science wouldn’t exist without the online research repository known as arXiv. Three decades in, its creator still can’t let it go.

The logo for JuliaCon Local Paris 2025. Pretty cool tbh. Design by cormullion.

Fellow #JuliaLang enthusiasts, here's your chance to shine: the call for proposals of JuliaCon Local Paris 2025 is finally open. Send us your coolest, nerdiest contributions and we'll prepare a scientific program for the ages!
pretalx.com/juliacon-loc...

The Python code is a bit of a hack job sitting on top of a Slack importer.

One thing I would really like is to figure out how the 'annotations' from Zotero can be automatically imported to Zulip. Therefore a very easy highlighting text in the PDF -> Zulip research group discussion.

Quite often you find the paper was already added - and so it just pops open in a sometimes multi-year discussion thread.
(Much research-group hilarity when the same person adds the same people every six months or so, after having 'rediscovered' it :^)

github.com/Frost-group/...

One of my favourite things about this is a little forked Webhook, which posts every paper added to our group Zotero citation manager to it's own discussion topic under #zotero , along with the abstract, authors, DOI link.

It's really useful to then have an in-context discussion about papers.

Zulip 10.0: Organized chat for distributed teams We’re excited to announce the release of Zulip Server 10.0, containing hundreds of new features and bug fixes! Zulip is an open-source team chat application designed for seamless remote and hybrid wo...

🧪 I use open-source Zulip for my research group 'text chat' rather than Slack / Discord, to try and reduce stress and FOMO from the fire-hydrant of text chat.

There's just been a big new release of the software
blog.zulip.com/2025/03/20/z...

Why Zulip for research?
scverse.zulip.com/for/research/

Some really nice stuff here!
Do you know of any computational database / resource where model membrane structures are shared? Or does everyone DIY it with the Charm-GUI?

Beautiful! I'm very jealous.

A unique opportunity to collaborate with our group, the Grimme lab, and Prof. Frank Neese’s department at MPI-KOFO!
Join us in integrating our latest semiempirical method, g-xTB, into ORCA – unlocking access to even more molecular properties. 📈

Interested? Apply now! 📧

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GitHub - Frost-group/MembraneElectrostatics.jl: Coarse-grain MD not fast enough? Try some Cahill inspired MembraneElectrostatics! Coarse-grain MD not fast enough? Try some Cahill inspired MembraneElectrostatics! - Frost-group/MembraneElectrostatics.jl

Definitely #CompChem, also #CompBio not that I'm much in that community, and I'd say that the github.com/Frost-group/... stuff is definitely #Physics.