📢BLOG POST Our writeup is finally here! The main topics are: - Different approaches to teaching programming in UK Chemistry degrees. pythoninchemistry.org/state-of-teach… - A cross-institutional project to share teaching resources for Python in Chemistry. pythoninchemistry.org/resources.html An(drew) McC

Miguel Rivera 🥭, Antonia Mey, and I have compiled some of our thoughts on the importance of training undergraduate chemists in digital skills for Nature Chemistry: rdcu.be/dRMcA

Have a look at our lively students with their posters at #DFT2024😉😉

Francesco Egidi SCM opens the second and last session of day 4 of #DFT2024 with a talk about advanced multiscale simulations

PLEASE RETWEET: Come and spend 3.5 years as a research fellow in my group at UoBChemistry researching wide band gap oxides, using UoB Advanced Research Computing (BEAR). jobs.ac.uk/job/DJH373/res…

Group picture is here! #DFT2024

Mario Barbatti Mario Barbatti starts the second morning session #DFT2024 and speaks about excited-state dynamics. Enjoy!

Célia Fonseca Guerra starts the first afternoon session of #DFT2024 with a talk about H-bonds. Enjoy!

Marta Alberto Marta Erminia Alberto Università della Calabria introduces the second and last session of the afternoon with a talk about photodynamic processes in biological environment. Enjoy!

Day 5 of #DFT2024 is ending! Let's thank all the speakers of the day for their exciting talks! See you soon for the poster session!

Poster session number 2: another big moment to exchange about science. #DFT2024

Daniel Escudero Masa trying to hear the question at the dft paris conference. #compchem

Let’s congratulate the 6 winners of the poster prize at #DFT2024

Here we are! Next DFT conference #DFT2026 will be organized in Donastia - San Sebastian (Spain) by Eduardo Matito Eduard Matito 🎗. Stay tuned and hope to see you there in 2026!

#DFT2024 is ending! We thank all the participants for the fruitful scientific talks, posters and discussions! See you in Donastia!

Just accepted in Chemical Science 🎉 Check out our new manuscript on “Equivariant #ML for Excited-State Nonadiabatic Molecular Dynamics”☀️ pubs.rsc.org/en/content/art… Wonderful collaboration with Carolin Müller The González Group TCPUniLu #compchem UNIVERSITÄT LEIPZIG

My latest PCCP publication is online and FREE to access as part of the Molecular Dynamics in the Gas Phase themed collection. Read it here: xlink.rsc.org/?doi=10.1039/D…

Please register for the Materials and Molecular Modelling (MMM) Hub conference, 29-31 Oct in Uxbridge, London: thomasyoungcentre.org/event/mmm-hub-…. Speakers will include Keith Butler (Keith Ito), Gábor Csányi, Juliana Morbec (Juliana Morbec), Carole Morrison from The University of Edinburgh, and more.

The Computational Molecular Science 2024 Conference at @UniofWarick kicks off today and @SoftMatter and MSDE journal are pleased to be sponsoring poster prizes at the event. Be sure to check out the amazing posters at the meeting if you're there! #CMS2024

My colleague Mike Parkes and PSDI are organising a hackathon on using IoT devices and sensors within an experimental laboratory setting. It's at UCL on the 7th and 8th of November. If it sounds like your thing, register below! forms.office.com/e/cwW2qgmRjK