Please note: This event page is as it was when the meeting occurred. Various pieces of information (eg. directions) may no longer be accurate.
Welcome to the event page for the COSMOS Electronic Structure Theory for Dynamics Workshop on the 8th and 9th of September 2025
This event will be held in the Physical and Theoretical Chemistry Laboratory, University of Oxford, United Kingdom
We are delighted to welcome participants to a workshop on electronic structure theory for nonadiabatic excited state dynamics. The workshop will take place in Oxford (UK) Mon-Tue 8th-9th September 2025. A list of confirmed speakers is provided below and the meeting includes a practitioners’ panel discussion on electronic structure and dynamics. The list of speakers is comparatively short to ensure there is sufficient time for scientific discussions and conversations.
On behalf of the COSMOS community, we welcome everyone interested in joining us in Oxford in September.
Basile Curchod, Scott Habershon, Adam Kirrander (chair), Tom Penfold, Dmitry Shalashilin and Graham Worth
Local Organisers: Lauren Bertram, Joseph Cooper, Lewis Hutton and Adam Kirrander
Please Note: This web page will be updated over the coming weeks to include useful information about this meeting. If the information you need is not yet available, check back in a few days, or drop an email to cosmosproject@ucl.ac.uk
Meeting Aims
The goal is to strengthen the important links between electronic structure theory and dynamics, both in terms of practice and method development. Our hope is that the meeting will create exciting scientific opportunities going forward. This is particularly interesting, given the rather long-time horizon of the EPSRC-funded COSMOS project to develop a new integrated codebase for quantum molecular dynamics simulations. As part of the project, we arrange a series of workshops on central topics for quantum dynamics to bring together key people in the community and to advance the field.
Registration
Registration for this event is now closed due to high demand. Instructions on how to be added to the waiting list can be found by selecting “COSMOS Electronic Structure Theory for Dynamics - Sept 8th-9th on the following page HERE.
Program of Events
The current schedule can be viewed by clicking here (opens the document in a new browser tab).
The schedule may undergo minor changes over the next few days. The start and finish times will not change.
Speakers, Talk Titles and Recommended Prior Reading
- Hugh Burton, University College London: Mapping excited states on the electronic energy landscape, Recommended Paper
- Sonia Coriani, Technical University of Denmark: Time-resolved (Shake-Down) X-ray Photoelectron Spectroscopy as State-and Site-Specific Probe of Ultrafast Chemical Dynamics, Recommended Paper 1, Recommended Paper 2
- Rachel Crespo-Otero, University College London: Is MRSF-TDDFT Suitable for Cyclobutanone Dynamics? The Role of Higher Energy States in Surface Hopping Simulations, Recommended Paper
- Basile Curchod, University of Bristol: Practical challenges with electronic-structure methods when simulating (or predicting) the outcome of photochemical reactions, Recommended Paper
- Henrik Koch, Norwegian University of Science and Technology: Ground state conical intersections using single reference methods, Recommended Paper
- Anna Krylov, University of Southern California: Ultrafast transversal CISS effect observed in a chiral photoswitching molecule, Recommended Paper
- Roland Lindh, Uppsala University: Development potentials of the CASPT2 approach, Recommended Paper 1, Recommended Paper 2
- Jae Woo Park, Chungbuk National University: Multireference perturbation methods for exploring potential energy surfaces, Recommended Paper
- Felix Plasser, Loughborough University: Multireference perturbation methods for exploring potential energy surfaces, Recommended Paper
- Michael Schuurman, National Research Council of Canada: Ottawa: New Developments in DFT/MRCI Methods: Approximate Approaches and Potential Energy Surfaces, Recommended Paper
- Dmitry Shalashilin, University of Leeds: Coherent States for Electron Dynamics and Structure, Recommended Paper (Updated)
- David Tew, University of Oxford: Sub-linear scaling MP2 for periodic systems, Recommended Paper 1, Recommended Paper 2
Location
Physical and Theoretical Chemistry Laboratory (PTCL), South Parks Road, OX1 3QZ Oxford, United Kingdom
The following link will open this location on google maps: PTCL Oxford
The meeting will be in the Main Lecture Theatre (sign-posted from the foyer). The refreshments, lunch, and poster sessions will be in the upstairs tearoom.
Note on Building Access
If the main door to the PTCL is closed, please ring the bell on the right of the door and reception will let you in.
Travel & Accommodation Advice
Useful Map
The following map shows the nearest airports to Oxford, as well as Oxford Railway Station, the locations of the suggested hotels and the workshop venue (PTCL). There are additional map layers with local bus stops in Oxford as well as walking directions from Oxford Railway Station to the PTCL.
Travelling to Oxford
A dedicated section for getting to Oxford has now been added to the travel advice page, in the section “Travelling to the University of Oxford”.
We also recommend using the following site for exploring travel options from both within and outside the UK: Rome2Rio
Accommodation
The following hotels are recommended by the local organisers of this meeting:
- University Club - Quite central and close to the venue
- EasyHotel Oxford - 25 mins walk/10 mins bus to the venue
- Linton Lodge Oxford - Frequent option for university guests
- 100 Banbury Road - Close to Linton Lodge, but a bit more traffic nearby, so cheaper
- St Margaret’s Hotel - Upscale hotel, but may be reasonable for sharers/twin room
There are also some well reviewed Bed & Breakfasts nearby