Science Advances: deep UV trigger!

The Science Advances paper on using deep UV light to trigger a ground-state reaction that can be tracked using ultrafast x-rays is out. Yet another fun and interesting paper from the Brown/SLAC/Edinburgh team - thanks everyone!!

Bike helmet on cover of JPC-C

Adam had recently the dubious honour of being the only person on the cover of the J. Phys. Chem. C ‘Young Scientists 2019’ special issue to wear a bike helmet… So much for quick selfies taken when picking up the kids from school!

Nature Chemistry (Second NatChem paper in 2019)


Our second Nature Chemistry paper for 2019 has now appeared in print, to read it click here! This second time the story concerns the excited state structural dynamics of the molecule N-methyl morpholine, shown in the graphics above. This paper is the outcome of our collaboration with Peter Weber’s group at Brown University and Mike Minitti at SLAC. It has been highlighted in press releases from Brown (here) and SLAC (here).

Nature Chemistry Cover

The paper on ultrafast electron diffraction of the ring-opening reaction of 1,3-cyclohexadiene has been published on the cover of the 2019 June issue of Nature Chemistry. This new paper, which is a collaboration between scientists at SLAC, and Stanford, Edinburgh and Brown universities, is a nice follow-up to our original Physical Review Letters article from 2015… The Nature Chemistry paper can be found here, a press release from SLAC about the paper is 

Journal of Physical Chemistry A

Congratulations to Thomas Northey, who just had his paper on the independent fragment model (IFM) accepted in JPCA! Read more here.

Journal of Chemical Theory and Computations

Congratulations to Andrés and Hai-Wang who just had a paper on total x-ray scattering accepted in JCTC. A preprint can be found here.

Angewandte Chemie

Following the good news from Nature Chemistry, our paper to Angewandte has also been accepted. A preprint can be found here. A press release from SLAC can be found here.

Mats featured in EPCC blog

Our own Mats Simmermacher has been featured in an EPCC/HPC-Europa3 blog, as well as the recent PRL paper. Link here - nice!

Physical Review Letters

We are excited that our latest theoretical work on new directions for ultrafast X-ray scattering at XFELs will appear in Physical Review Letters. This project has been a collaboration between DTU and UoE, with Andrés and Mats doing a great job! The paper can be accessed here.

Journal of Physical Chemistry Letters

We are happy to announce that our most recent XFEL related work has been published in Journal of Physical Chemistry Letters. The paper can be accessed here

PCCP x 2

Lots of papers to be happy and excited about lately. Two recent papers have ended up in PCCP: Maria published her time-resolved photoionization work in PCCP (here), and Darren published a paper on CS2 ab-initio/dynamics in PCCP as well (here). Nice!

Small quantum systems Faraday Discussion 2018

Really nice Faraday Discussion meeting, with fun and interesting plenary lecture by David Clary. We contributed a paper on heavy Rydberg states (here).

Physical Review Letters

We are delighted that our paper with the experimental group of Dr Russell Minns (Southampton) and Artemis (Central Laser Facility) on the fascinating dynamics of the molecule CS2 has been accepted by Physical Review Letters. The paper can be accessed here.

Journal of Chemical Physics

Nikola’s and Brian’s paper on DIB is now out in JCP (here). Congratulations!

LCLS again!

Another great round of experiments with Mike and Peter at the LCLS. So much fun, every time… need to post a few photos when time allows. 

Gordon Conference

Spending an exciting week at the Gordon Photoionization and Photodissociation conference 2018 in Galveston Texas. I had some interesting questions after my talk, and enjoyed tremendously all the other talks and the people gathered. Great meeting1

LCLS - we are back again!!

We had another wonderful opportunity to participate in experiments at the LCLS now in October. This time around, it was Adam, Nikola, and Darren who made the trip to California. As always, this is a lot of fun - science is so cool! We collected great data this time around, so are excited to be back in Edinburgh to analyse, analyse, and analyse…. The photos below show Darren inside the CXI hutch and a snapshot of data-collection in action!



Lorenz Cederbaum - ScotCHEM speaker 2017

Today we have the great pleasure to host Professor Lorenz Cederbaum (Heidelberg) in Edinburgh. Lorenz gave a fantastic seminar - what a great choice for the ScotCHEM 2017 speaker!!! The photo shows Philip Camp, Lorenz, Fernanda Duerte, and Adam enjoying dinner afterwards.


Best Student Talk prize to Darren Bellshaw (AMIG 2017)

Exciting news: our own Darren Bellshaw was awarded the Best Student Talk Prize at the AMIG meeting in Glasgow! Well done, Darren!

ScotCHEM 2017 Computational Chemistry Symposium (+poster prize)

Great symposium in Glasgow today! I really enjoyed the plenary lecture by Fred Manby (Bristol), and an interesting presentation by Paul Murphy (HW) on Monte Carlo CI. Very slick organisation by our host Hans Senn, and of course, we are happy that the group did well: Maria Tudorovskaya gave a nice presentation on her photoionization work, and Darren Bellshaw won the runner up poster prize for his CS2 poster! Good job, everyone!

Joseph Black Conference 2017

Today Darren presented a poster and Andrés gave a great talk at the annual Joseph Black Conference in Edinburgh.

Carnegie Trust research grant with Martin Paterson (HW) - Hurray!

Our group was awarded a prestigious Carnegie Trust research grant for a project with Martin Paterson at Heriot-Watt University. Hurray!

New paper out in Applied Sciences (Special Issue on XFELs)

Our paper on the “Fundamental limits on Spatial Resolution in Ultrafast X-ray Diffraction” in Applied Sciences (a special issue on XFELs edited by Kiyoshi Ueda) came out today. It’s open access, so no excuses - read it today!

Andrés talking at TCG in Southampton

Today Andrés is giving an invited presentation at the Theoretical Chemistry Group (RSC) annual graduate student meeting in Southampton, as one of seven invited speakers! Good luck Andrés!

4th QMD meeting

Today all of us (almost) spent a the day at the incredibly interesting and stimulating Quantum Molecular Dynamics annual meeting - which was held in Leeds this year. So much fun - you can see all the happy quantum-dynamicists on the steps of Leeds university below… Science is great - thank you Dmitry for hosting a great event!

8th Ringberg meeting 2017

Adam was super-excited to speak at the 8th Ringberg meeting 2017, which was a fantastic opportunity to meet and discuss with other people working on all aspects of XFELs. So much fun! Big thanks to the organisers!!!

Our edited volume on Ultrafast Imaging is out!!

Volume 194 of Faraday Discussions, dedicated to Ultrafast Imaging and edited by Adam Kirrander and Russell S. Minns is out now! Read the papers, and importantly, read the discussion segments - this was a very stimulating meeting. Thanks again to everyone who contributed! Read more here.

50 Years of Chemical Physics at University of Edinburgh

Today we celebrated the 50th anniversary of the fantastic Chemical Physics programme at the University of Edinburgh. This is great programme that pushes (often brilliant) students hard in both chemistry and physics. Adam gave a talk about our research at the symposium (which featured a superb keynote address by Sir David Clary) and the rest of the group presented posters. In the evening we enjoyed a very nice dinner with some great opportunities for catching up with old friends!

Isabel and Nore join the group!

We are happy to welcome Isabel Gonzalvez and Nore Stolte, both from our excellent Chemical Physics programme, who will do their final year MChemPhysX projects in our group!

Welcome Nikola!

We are happy to officially welcome Nikola Zotev as a Carnegie Fellow working towards his PhD in our group. We are excited to have Nikola as a colleague, and look forward to several years of intense chemical physics fun. 

Faraday Discussion Ultrafast Imaging in Edinburgh!

photo FaradayDiscussion2017 session2b2

We are delighted to host the 194th Faraday Discussion, with the theme: Ultrafast Imaging of Photochemical Dynamics at the Royal Society of Edinburgh 31/8-2/9 2016. We have 120 participants from almost 20 countries, amazing speakers, great papers - this will be a lot of fun! Adam and Russell Minns (Southampton) are conference chairs, Nikola Zotev and Andrea Lidberg man the microphones, we are all set...

Meeting on Ultrafast electron dynamics in molecules in Edinburgh!

photo XLIC2016 group small

Group photo for the XLIC meeting 2016

We are happy to welcome almost 100 participants from all of Europe in the School of Chemistry in Edinburgh for the 2nd XLIC WG1 Meeting on “Ultrafast electron dynamics in molecules”. Great talks and excellent discussions!

Firbush 2016

It’s great to be in Firbush with the Physical Section from the School of Chemistry in Edinburgh. The Scottish Highlands are astonishingly beautiful. The photo shows Adam, David Rogers, Andrea Lidberg, Julien Michel, Antonia Met, and Paul Attfield on top of the world...

Nikola wins prestigious Carnegie Fellowship

We are very proud to announce that Nikola Zotev has been awarded a Carnegie PhD fellowship. These prestigious fellowships are only awarded to very small number of the very best students to graduate from any Scottish university, in any given discipline, every year. Wow!

LCLS beamtime

We’re at Stanford for beamtime this week. It is always great to be back working at the LCLS and to meet all our fantastic collaborators! Lets hope for good data!!!

Maria joins the group!!

We are delighted to welcome Dr Maria Tudorovskaya as a postdoc in the group. Maria has finished her PhD with Manfred Lein in Hannover and will work on quantum dynamics, photoionization, and HHG. Great to have you here Maria! 

Minas Stefanou and Katie McConnell join the group

We are excited to welcome Minas and Katie who will do their final-year research project in our group!

Adam interviewed by the Medicinal Chemistry Network

Gerald Clarke from the Medicinal Chemistry Network interviewed Adam as part of a themed series of interviews relating to the international year of light 2015. Tune in for a big picture discussion of our research!

Welcome Darren Bellshaw!!

Our newest PhD student, Darren Bellshaw joins us today. Darren has had extensive experience of electronic structure calculations in Maciej Gutowski's group at Heriot-Watt, and will work on quantum dynamics simulations of photochemical processes during his PhD. Welcome Darren!

Our PRL in the press (Nature, Chemistry World, Physics, etc)

Our recent PRL has garnered quite a bit of attention in the press, including Nature, Physics and Chemistry World, as well as many general audience websites such as Engadget, Science Daily, and liveScience. SLAC also produced a nice video featuring Mike Minitti (who was experimental co-lead with James Budarz at Brown).

Nikola Zotev joins us again on EPSRC vacation scholarship

Our own Nikola Zotev has returned from his year in excile at P&G in Newcastle, and is back for a fun-packed summer of hard-core science thanks to the generosity of the EPSRC.

ScotCHEM 2015 - Andrés speaking at University of Strathclyde

Today is the annual ScotCHEM meeting and Andrés Moreno is giving a talk! Good luck, Andrés!


Paper in PRL

NEWSFLASH: Our first ultrafast molecular movie is accepted for publication in Physical Review Letters

Aryya Ghosh joins us as postdoctoral visitor until August

We are delighted to welcome Dr. Aryya Ghosh from NPL in Pune, India, who will work with us until August!

Adam invited professor in Paris

In 2014-2015, Adam has an invited position at Université Paris-Sud, which among many other great things provides an opportunity to continue work on some nice joint-projects with Dr. Christian Jungen.

Andrés goes to Tulip

Andrés went to the time-resolved spectroscopies Summer School in the Netherlands. Speakers included Paul Corkum and David Nesbit.

Meatfest 2015


Andrés brought back half a cow and a pig from Spain (nearly!) not to mention some very nice wine... The rest of us pitched in with bread and cheese, and we spent one very long and indulgent lunch in the Museum... Nice!

ESRF Workshop "Future Science and Experiments on UPBL9b"

Adam spoke today at a very interesting workshop at the ESRF in Grenoble. It was an excellent meeting with many great talks, including Harry Ihee and Christian Bressler, as well as our host Michael Wulff. A good opportunity to discuss the future of x-ray science!


The UK finally joins the XFEL in Hamburg!!!!!!

Brilliant news today, as the UK announced that it will join the European XFEL facility in Hamburg again with an investment of up to Ł30 million. See announcement from STFC and the Minister for Universities and Science Greg Clark MP here. British scientists have been doing excellent science at the LCLS in Stanford, and it is great to know that we will also be part of the XFEL.

First-year talk by Andrés Moreno

Andrés Moreno gave his first year talk today! Well done Andrés!

Dr. Steffen Schäfer visit

Dr. Steffen Schäfer (Marseille) spends a week in the group - giving us plenty of time to discuss inelastic scattering and sample some whiskey...

Quantum Dynamics Workshop in Edinburgh

Quantum Dynamics Workshop at Edinburgh! Today 20 theoreticians gathered to discuss quantum dynamics, ranging from photochemical simulations in the gas and condensed phase, to atomic processes in intense infrared fields. The groups of Prof. Dmitry Shalashilin (Leeds) and Dr. Carla Faria (UCL) were here, as well as Dr. Stewart Reed (Edinburgh), Dr. Joao Malhado (Imperial) and Dr. David Rogers (Edinburgh). Everything ended with a fun (and late) dinner at the Apiary.

David Leslie and Odin Kvam join the group

Today, David Leslie (BSc Chemistry) and Odin Kvam (MChemPhys) joined the group for their final-year research projects! Welcome!

Andrés Moreno joins the group!

Today Andrés Moreno, originally from Madrid, joined our group as a new PhD student. We are very pleased to welcome Andrés, who shares our passion for science at the intersection of chemistry and physics. He is going to work on quantum dynamics and new experiments using coherent x-ray light sources.

Oxford Summer School

Thomas left for the bi-annual Oxford Summer School in Theoretical Chemistry today. Two weeks of intense lectures and Oxford fun - have fun Thomas!

Visit at DTU Copenhagen

Adam has had the pleasure to spend a few days with Prof. Niels Henriksen at DTU in Copenhagen, and to give a seminar there. Niels and Klaus Moller have done some great pioneering work on the theory of time-resolved xray scattering, and it was very stimulating to have the chance to discuss with them. And Niels is a fantastic host - thank you Niels!

MOLEC 2014

Kenichiro and Adam represented the group at the international MOLEC 2014 conference in Gothenburg, Sweden. Adam gave a talk and Kenichiro presented a poster. It was a very nice conference, great science and we enjoyed hanging out at our luxurious head quarters with the Shalashilin Team! Thanks to everyone!

Sergi final talk - wins distinction for project!

Sergi presented his MSc project at the Edinburgh Parallel Computing Center (EPCC) today. His project in our group earned him a well-deserved Distinction, well done! This unfortunately means that we have to say good bye to Sergi, who leaves to pursue a career in high performace computing. Good luck, Sergi! 

Thomas Northey gives talk in Firbush

Today Thomas Northey is giving a talk at the annual Firbush meeting. Good luck Thomas!

Dr Kenichiro Saita joins the group!

Dr. Kenichiro Saita, most recently a research fellow with Prof. Dmitry Shalashilin in Leeds, joined our group.  Kenichiro is expert in quantum molecular dynamics and has developed the AI-MCE method. We are delighted welcome him in the group!

Faraday Discussion 171

Faraday Discussion 171 (Sheffield, UK)

Dr. Mike Minitti (SLAC) presented our paper at the Faraday Discussion 171 in Sheffield. Adam was also there to support him. It was a great meeting (which ended somewhat dramatically for Adam, but that's another story).

Photo: Adam and Mike at the LCLS in Feb 2014.

Annual Northern Universities Meeting on Chemical Physics 2014

Thomas is giving a talk at the Annual Northern Universities Meeting on Chemical Physics in York on the 3rd of July, 2014. Good luck, Thomas! 

Nikola Zotev goes to Newcastle

Nikola Zotev has now finished his summer research fellowship and is of to Newcastle to work at the research division of P&G for one year. Nikola did some really excellent work on using FFT in scattering calculations, with part of his work about to be published in JCTC.


We all enjoyed a superb day of Scottish theoretical chemistry during the annual ScotChem meeting, this year at Heriot-Watt. Many thanks to Maciej Gutowski and everyone else at HW!

EPSRC Fellowships advertised!

University of Edinburgh EPSRC Doctoral Prize Fellowships 2014

The EPSRC Doctoral Prize is a prestigious scheme aimed at developing the very best EPSRC funded students beyond the end of their PhD and help them launch a successful career in research as potential future leaders read more.  We will support the application of strong candidates, please contact Adam to discuss. Deadline 1/7 2014.

Seminar in Birmingham

Adam gave a seminar in Birmingham. It was also a fun opportunity to discuss with Graham Worth and his group, who do some really nice work in theoretical photochemistry and dynamics.

International Year of Crystallography

Adam will speak at a seminar series (Crystallography Matters!) aimed at the public to celebrate the International Year of Crystallography on Tuesday 24th of June 2014 in Edinburgh. Not to be missed. Read more and book tickets here.

Congratulations to Adam Michalchuk and Andrew Clark

Today, Adam M. and Andrew finished their exams - congratulations! It's not quite the last we see of them, as Andrew is staying on for the summer to continue his work on Heavy Rydberg States.

Nikola Zotev joins group

Today Nikola Zotev joined the group on a College Vacation Scholarship. Nikola is a third year undergraduate student in the Chemical Physics programme at University of Edinburgh, and over the summer he will develop a new code for x-ray scattering.

Sergi Siso Goda joins group

people sergi siso godia 2014 2

Today Sergi Siso Goda joined the group. Sergi has an undergraduate degree in computer science and mathematics, and is currently working towards an MSc in High Performance Computing here in Edinburgh. Sergi will parallelize and optimize our Coupled Coherent States quantum dynamics code.

Adam speaks at University's Gather Festival

Today Adam Kirrander and Eleanor Campbell spoke at the Science At Large event, part of the University's Gather Festival 2014. The topic was research at large international facilities, such as the LCLS or CERN.

Winning tweet for the group's research

It's just been announced that we've won the School of Chemistry 'Research Tweet' competition! It's good to know that our research can be summarized in 140 characters... Thanks Monica Hoyos-Flight! (Apparently there is an edible prize.... mmmm)

We made the news! Chemistry World

Science writer Philip Ball covered a recent paper by Henri and Adam for Chemistry World - very cool! Read the article here.

We made the news! ars technica

Matthew Francis at our favourite geek-site ars technica covered a recent paper by Henri and Adam! Read the article here.

We made the news! Physics World

Physics World covered a recent paper by Henri and Adam! Read the article here.

Andrew Clark and Adam Michalchuk join group

Andrew Clark and Adam Michalchuk, both final year MChemX students at University of Edinburgh, today joined the group for their final year research projects. Andrew will work on theoretical simulations of heavy Rydberg states, while Adam M. will simulate rotational wave packets in diatomic molecules.

ScotCHEM 2013


Adam is speaking at the annual ScotCHEM meeting, which takes place at St. Andrews this year.

Crucible Champions!

Cruible-IV champions

Adam was part of the winning team at the HW Crucible IV research competition! The team consisted of Dr Jonathan Leach (HW, physics), Dr Alan Lindsay (HW, maths), Dr Adam Kirrander (UoE, chem), and Dr Andrew Turner (UoE, epcc). In the photo they pose with their prizes and with HW Principal Prof. Steve Chapman (centre) and HW Deputy Principal Prof. Alan Miller (left). Ah, the glory!