This meeting aims to initiate a discussion between theoretical and experimental communities to enable better XFEL experiments in the future. 

Please register here: https://forms.office.com/Pages/ResponsePage.aspx?id=MH_ksn3NTkql2rGM8aQVG9ezzH6P6jxLtBN9Ju8O6ZJURE8yR1k1NzdWUlhMV0RNM1hZR1FWOVNVQS4u 

A particular emphasis will be placed on the development of theoretical predictions before beamtimes to ensure that the most efficient strategies are adopted before measurements. This meeting will discuss the potential to use high-quality calculations of dynamics and experimental observables (both spectroscopic and scattering) for gas, solution phase and solid-state experiments. 

The meeting will also propose the creation of a forum to facilitate the connection between experimenters and theorists before the preparation of a proposal for an XFEL beamtime, permitting that vital calculations can be performed between beamtime acceptance and implementation (typically 6 months).

The meeting, jointly organized by members of the UK XFEL programme (https://xfel.ac.uk) and the EPSRC programme grants UPDICE  (https://updiceproject.com) and COSMOS (https://cosmosproject.co.uk), will bring worldwide experimental and theoretical experts in processes at XFEL.

Invited speakers include: 

Majed Chergui (Elettra Sincrotrone Trieste)
Sonia Coriani (DTU)
Nađa Došlić (Institut Ruđer Bošković Zagreb)
Matthew Foulkes (Imperial College)
Lina Fransen (U. Nantes)
William Glover (NYU Shanghai)
Daria Gorelova (U. Hamburg)
Niels Huse (U. Hamburg)
Rebecca Ingle (UCL)
Nanna List (KTH/U. Birmingham)
Gilberto Teobaldi (STFC)

A CECAM workshop took place from April 8 to 10 in Lausanne (Switzerland), co-organized by two members of the UPDICE consortium, Basile Curchod and Graham Worth, together with Federica Agostini (Paris-Saclay), Todd Martínez (Stanford), and Sara Bonella (CECAM-EPFL).

This workshop aimed to discuss the results of a recent prediction challenge addressed to the nonadiabatic dynamics community. The challenge consisted of predicting the photochemistry of cyclobutanone and the corresponding MeV-UED experimental signal and submitting an article on these results *before* the experiment was conducted at SLAC (Stanford). Fifteen articles were published in the Journal of Chemical Physics in response to this challenge (https://pubs.aip.org/collection/16531/Prediction-Challenge-Cyclobutanone-Photochemistry). The goal of this CECAM workshop was to discuss the results of this community challenge and agree on what worked and what did not work, building a roadmap for future developments in the field of nonadiabatic dynamics. Alice Green (Edinburgh) and Andrew Orr-Ewing (Bristol, lead of UPDICE) represented the experimental side of this challenge and supported the discussion on the calculation of experimental observables.

After feedback at the summer meeting last year, ECRs from each of the UPDICE groups have been leading tutorial-style online seminars each month, presenting on the experimental or theoretical methods used by their groups. Since the autumn, we have covered a range of topics, including: transient absorption, two-dimensional electronic, photoelectron and coulomb explosion imaging spectroscopies, as well as nonadiabatic dynamics calculations. The seminars are aimed to provide a working knowledge of our techniques to group members across the UPDICE grant and beyond, to improve understanding of the work in the different groups, and to help generate opportunities for collaborations.

The UPDICE consortium met on the 18th of February at the University of Bristol to discuss progress on Work Packages 2 and 3. There was a great turnout from all four partner institutions and many positive updates were highlighted during the meeting.

PDRAs from the UPDICE group met at the University of Bristol in February to take part in a presentation skills workshop, delivered by Island 41. The bespoke training focused on how to present with confidence, alongside skills such as vocal projection and engagement with Q&A sessions. The group then held one of their quarterly meetings where they presented research updates.

Over 70 people attended our second Women in Photochemistry Symposium, held on Wednesday 5 March at UCL. Nanna Holmgaard List (Stockholm, Sweden/Birmingham, UK),  Marina Kuimova (Imperial College London) and Martina Havenith (Bochum, Germany) talked about their research and shared insights into their career paths, including challenges they have faced and overcome, and they gave valuable tips for the aspiring early career researchers in the audience.

The symposium was timed to be in the week before International Women’s Day 2025 (Saturday 8 March) and was a joint UCL Chemistry and EPSRC UPDICE Programme Grant event, with additional support from the RSC Spectroscopy and Dynamics Group and the IOP Molecular Physics Group.

A large number of UPDICE group members attended the RSC Spectroscopy and Dynamics Group meeting in Leicester at the beginning of January. Talks and posters were presented by several of our PGR students and PDRAs.

PDRAs from the UPDICE group met at Oxford University for a 2-day meeting which comprised presentations, discussion and a training session on narrative CV writing. Presentations focused on recent work and the PDRAs were able to highlight opportunities to collaborate across groups.

Congratulations to UPDICE PDRA Susannah Bourne-Worster, who has recently started a Royal Society University Research Fellowship at the University of Durham. Susannah worked with Professor Graham Worth during her time with the UPDICE Programme Grant, and also took on the voluntary role of PDRA representative. We wish Susannah all the very best in her new role!

AtmoSpec is an automated tool to simulate the photoabsorption cross-section of atmospheric volatile organic compounds, developed by Dr. Daniel Hollas (Curchod group, Bristol). You can learn more about AtmoSpec in this recently published article in the Journal of Physical Chemistry A, and it is available for download from GitHub.