Hey everyone, I've written a Python module `qm9pack' to play with the QM9 dataset. github.com/raghurama123/q… The hands-on tutorials will walk you through some basic exercises and I'll be adding advanced exercises to spice up #compchem. Enjoy and feel free to share your thoughts!

16 years ago I found out the US election result in a photography club meeting at Washington State University. Not sure what I'll be doing this time (probably sleeping), but the outcome is likely to be momentous.

We are excited to announce the "Chemical and materials machine learning school" 31st March - 4th April 2025. Covering basics of ML, graph networks, generative models, ML potentials and more! More info and registration details: aichemy.ac.uk/ml-training-sc… psdi.ac.uk/event/cammls-2…

We are currently recruiting a Professor/Senior Lecturer and Theme Lead in Robotics & Autonomous Systems. Find out more and apply here: sheffield.ac.uk/machine-intell… youtube.com/watch?v=K-wP0w…… #AI #UoS #AIJobs #CMI #ML #Robotics

I am so old that I published many of my early papers as K. L. C. Hunt. Over time, my use of initials led to the occasional question, "You're K. L. C. Hunt?" It was the right move for the times. I would have to look up the first paper that I published as Katharine L. C. Hunt.

📢Save the date📢: Sonia Coriani and I are excited to announce next summer’s Current Trends in Electronic-Structure Theory (CTEST-2025), a WATOC2025 satellite meeting taking place from 18-20 June 2025 at the Carlsberg Academy in Copenhagen, Denmark. [1/3] ctest2025.com

🎉 I’m delighted to say that my photograph of Padley Gorge has won the Public Choice Award in the National Parks UK Photography Competition 2024! I’m very honoured to be flying the flag for my beloved #peakdistrict and sharing its beauty, and I’m so grateful to all who voted.

Julie Hyde Julie Hyde (The University of Sheffield) wins the Excellence in Higher Education Prize, for her support of graduate teaching assistants, development of a new undergraduate teaching laboratory programme, & support of the national Secondary and FE group. rsc.li/3AQRAqf

Finally I got the picture 😮 Snowy Durdle door in Dorset One of my most memorable moments, capturing this very rare image. The fact that we never really get snow down south and especially at such an iconic tourist attraction such as Durdle Door!

Interested in self-driving labs for sustainable polymer additives? If so, there's a PhD project with Nick Warren and me that you might like. findaphd.com/phds/project/s… It is competition based and includes UK tuition fees and an enhanced stipend due to our industry partner.

We are hiring (resharing appreciated)! Given a few recent successful grant applications (I got my SNSF Starting Grant 🚀), we are extending the LIAC (LIAC at EPFL) team and have multiple openings (PhD/postdoc) for 2025. Are you interested in #AI4Science and machine learning

Giving this a bump - still time to apply for this PhD project.

New PhD opportunity in #CompChem at UCL Chemistry starting October 2025... If you're interested in developing new theoretical models for excited states, then we look forward to hearing from you. Please share widely... and Merry Christmas! findaphd.com/phds/project/n…

It’s snowed in Sheffield but campus remains open as usual today. However, due to adverse weather conditions, we are aware of disruption to travel and that some schools are closed. For more information visit: sheffield.ac.uk/incidents/curr…

💥PhD opportunity in the Sosso Group💥"Machine Learning-Driven Molecular Simulations of Gas Transport in Polymeric Materials", a project supported by the HetSys CDT in collaboration with AWE Nuclear Security Technologies. Details: warwick.ac.uk/fac/sci/hetsys…. Apply (quickly!) here: warwick.ac.uk/fac/sci/hetsys…

Interested in a PhD developing a new class of information-rich 2D materials? We have an EPSRC competition funded position ideal for anyone interested in synthesis, co-ordination chemistry and nanomaterials. See shorturl.at/ZnEsT for full details and how to apply.

Still time to apply for this competition funded PhD position. Automation, machine learning, sustainable chemistry, stipend top-up, what's not to like?

We're proud to see this special issue of Crystal Growth & Design / ACS honouring the Cambridge Structural Database's founder, Dr Olga Kennard. It celebrates the range of scientific discoveries made possible with this collective use of structural science data. Find it here: ccdc-info.com/4gqpn8i

🚀 We are excited to win the FIRST TEAM grant from FNP Foundation for Polish Science and EU Smart Economy Programme to study "Ultracold polar molecules for quantum technologies," including new architectures for quantum computing and simulation.⚛️ We will look for motivated PhD students and postdocs!🎓