Graeme Day
@graeme_day
Professor of Chemical Modelling University of Southampton, Associate Editor for @ChemicalScience, co-director @TMCScdt, FRSC, he/him
A big thanks to @ERC_Research for backing our vision for a Synergy grant #ERCSyG with @aicooper and Kertin Thurow @unirostock. Autonomous materials discovery through integration of materials simulation with mobile robots in the materials chemistry lab. erc.europa.eu/news/erc-2019-…
Just published - my meeting summary for the recent Data-Driven @Faraday_D held in Oxford: pubs.rsc.org/en/content/art… #compchem #AI #ML #chemistry
Thanks to @IT4Innovations for another great conference held at @vsbtuo! Our group was happy to contribute two talks and two posters.
Not the most spectacular photo, but I saw it. Nice clear sky in Southampton tonight for comet #Tsuchinshan_ATLAS 12-year old had to find it in the sky for me. Oh, to have young eyes again.

Congrats @StochasticChem & all researchers who contributed. Jordan returned from the International Workshop on Data-driven Comp. and Theoretical Materials Design (#DCTMD) in Shanghai with an Innovation Award for our open Crystal Structure Prediction code gitlab.com/mol-cspy/mol-c…

It was great to host @tous_petr from @CervinkaGroup for a research visit this year in @UoSChem_ChemEng, funded by @Bestcsp22107. These visits are valuable for feedback on our crystal structure prediction code and it's great to see applications of our methods to new problems.
A member of our group just returned from @unisouthampton where he learnt how to perform #CompChem crystal structure predictions for #MolecularCrystals. Read more about his impressions: best-csp.eu/stsm-awarded/m… Many thanks to @graeme_day and @Bestcsp22107!
A coupledays left to apply for this postdoctoral position in our team at @unisouthampton jobs.soton.ac.uk/Vacancy.aspx?r…
Chris Taylor presented his work on applying crystal structure prediction at large scale (1000+ molecules) in yesterday's session on Discovering Trends in Big Data at #FD_Data in Oxford. Lots of great discussion at this meeting. (the paper is here: pubs.rsc.org/en/content/art…)

We're planning a workshop (in-person in Southampton, UK, early 2025) to offer training in our crystal structure prediction code (gitlab.com/mol-cspy/mol-c…). #compchem To judge the level of interest, here is a form to register interest: forms.gle/1pt3ZVWTj7NkFR…
Here we go... #compchem Our Crystal Structure Prediction code is now available: gitlab.com/mol-cspy/mol-c… and docs here: mol-cspy.readthedocs.io/en/latest available under GNU General Public License v3.0 Feedback welcome!
We're looking for a postdoctoral researcher to join our team. If you have an interest in crystal structure prediction and its role in materials discovery, please see the job description: jobs.soton.ac.uk/Vacancy.aspx?r… Apply by 3 Oct. #compchem
🚀Excited to announce the digital launch of AIchemy (#AIforChemistry Hub) on Sept 5, 11 AM - 12:30 PM BST via Teams Webinar. Join us to discover how we are pioneering and normalising the use of AI for chemical research Register now ➡: rb.gy/eww63y #AI #Chemistry
Thank you @Eddaoudi_FMD3 for visiting @UoSChemistry today and the outstanding seminar.

preprint: @Eleanor__Soper's study of molecular conformations in crystal sponge structures, quantifying distortion of molecules from their most stable geometry, with @colessj The influence of the crystal sponge framework on guest molecule conformation go.shr.lc/3S3nNzY
Kicking off the 2024 @GordonConf “Crystals meet AI” with Keynote talks from Omar Yaghi and @graeme_day
Poster deadline in just over a week (1 July) for the Faraday Discussion @Faraday_D on data-driven discoveries in the chemical sciences. Looking forward to seeing your abstracts!
Join us in Oxford this September for a Faraday Discussion to explore the role of data in the chemical sciences in our unique format – with Alán Aspuru-Guzik, Kim Jelfs, Heather Kulik and Aron Walsh. Discover our @Faraday_D #FD_Data #DigitalChemistry: rsc.li/data-fd2024
📢We are delighted to announce the winners of the CrystEngComm Outstanding Paper Award 2023! 🎉Congratulations to Hunter J. Windsor, Cameron J. Kepert and Lauren K. Macreadie👏 Check out their winning work here 👇🔗doi.org/10.1039/D3CE00… 📍@UNSW @Sydney_Uni @LMacreadie
Great to see our research @OceanEarthUoS @ivanhaigh to help predict future coastal flooding, by analysing record storm surges over four decades, making headlines today, including in the @Independent newspaper. 🌊 👇 independent.co.uk/climate-change…