Can see this being a useful citation in future for "if this system was more anharmonic things would be difficult" ;-)

Just one week left to apply for our Autumn school on ML for Atomistic Modelling. ML-potentials, graph neural networks, BBQ, Aron giving the plenary...what more could you want?!! psdi.ac.uk/event/machine-…

After a longer than I’d have liked time, one of the papers from my PhD has been out in PCCP/Royal Society of Chemistry for a minute! INS data from both Institut Laue-Langevin and ISIS Neutron and Muon Source doing fun stuff on endofullerenes! pubs.rsc.org/en/content/art…

Every space in a filename is a missed opportunity to put a newline in a filename. (Yes, Linux will really let you do this.)

Serious question. Is there an option that they did not select…?

.Irea Mosquera presenting a masterclass in how to model defects correctly using computational techniques at #MC16. UCL Chemistry Imperial Materials UCL Advanced Research Computing Centre Aron Seán Kavanagh Thomas Young Centre

🏳️‍⚧️ Wishing everyone at London Trans Pride today a joyful, safe and empowering day. 🏳️‍⚧️ It's never been more important to support trans people, who are being stigmatised and placed at the heart of a toxic culture war. 🏳️‍⚧️ As your Mayor, I will always be on your side.

I'm still looking for a PhD student (UK home fee status only). There's some flexibility on the topic, so if this project doesn't sound like quite the right fit but you're interested in another aspect of my research, please get in touch! findaphd.com/phds/project/s…

PLEASE RETWEET: I have a 4-year PhD studentship available UoBChemistry on using #compchem to find new wide band gap oxides for optoelectronic applications. Want to increase efficiency in solar cells and power electronics, then this is for you! tinyurl.com/3nrb5tka

MMitchell I have a sudden grim premonition of "works for my age / gender / ethnicity / socioeconomic status" becoming the new "works on my machine"

PLEASE RETWEET: A 24 month (initially) postdoc position is available in my group UoBChemistry to use #compchem on wide band gap conducting oxides for optoelectronics. Lots of funds for international conference travel and lots of HPC resource UoB Advanced Research Computing (BEAR)! tinyurl.com/bdhfeue7

has anyone here any hands-on experience with precision issues for MD on GPU, and in particular A100s? we're seeing instability with JAX in single precision, but not in double. but only on these GPUs, V100s are fine. as far as we know, TF32 is not the culprit...

Ok friends, after computing 0K harmonic phonons yesterday, I ran some more calculations for room temperature self-consistent phonons in #LK99 (details below). I doesn't look too bad! No imaginary modes, no weird behavior in all statistics I checked. Not even too anharmonic.

These ten recommendations from Sam Horrell 🗿 apply to all neutron users as well 😇😉 #beamline #scientists

Dr Owain Kenway The more I learn about devops, the more sure I am that networking computers was a huge mistake.

CW: Nerd stuff 🤣😂🥲🤔🤣

Applications now open for our next #Neutron Training course in May 2024. This is a practical instrument-base courses for postgrad + post-doc researchers who have little or no experience but whose future research program will make use of neutron techniques. bit.ly/3MuB6Xg

I asked Stable Diffusion XL to draw a hot-desking office in Hell and most of these look like UCL offices and some look better than UCL offices.

I will be attending the #SOOCON24 and #stateofopencon and speaking about my work. I will present preliminary research on applying the Do No Harm framework to open source/science interventions. Grab a ticket - limited free tickets are also available. stateofopencon.com.