Our recent work on the photodynamics of thiophenone features on the cover of Nature Chemistry for the September issue – a beautiful artistic representation of the dynamics of thiophenone and its photoproducts created by Lea!
A lot of things happened recently in the ISPG! Let’s try to give a quick summary here in a few points!
- Congratulations to Joe who brilliantly defended his Master Project on the photodynamics of coumarin and pyrone!!! Joe will start a PhD soon in the group of Dr Adam Kirrander at the University of Edinburgh! All the best Joe and thanks for your time in the group!
- Congratulations to Lea who published a very exciting article on a molecular version of Tully’s models to test nonadiabatic dynamics! This work is available here open access (initial conditions too if you want to test your method) and made the cover of PCCP (also highlighted as “Hot Article”)!
- In another work, Lea studied the photodynamics of thiophenone after photoexcitation but also after it returned in the ground electronic state, leading to the athermal formation of numerous photoproducts! This work was done in collaboration with experimentalists who used time-resolved photoelectron spectroscopy to follow the ring-opening of thiophenone. This collaborative work has been published in Nature Chemistry! Cover art by Lea.
- Antonio, in collaboration with Lea and Emanuele, just published a work on how one can compute photolysis rate constant for Volatile Organic Compounds using nonadiabatic dynamics! This work emanates from our ERC Starting Grant SINDAM and offers exciting new perspectives in understanding the photochemistry of transient VOCs. The article was published in the Journal of Physical Chemistry Letters open access.
- Antonio also worked on the photochemistry of quinine in collaboration with the groups of Dr. Paul McGonigal, Dr. Marc Etherington, and Prof. Andy Monkman. The work was showcased on the cover of Chemical Science!
- The group also proposed a new method to perform Ab Initio Multiple Spawning, called Stochastic-Selection AIMS.
- Finally, an exciting collaboration with the group of Prof Verlet on monitoring the adiabatic dynamics of a dye molecule in gas phase has been recently published in Nature Communications (Editors’ Highlight)!
An amazing initiative from Dr. Erastova (University of Edinburgh) with a contribution from the ISPG!
We are a small group of scientist and we aim to bring together communities during the lockdown and homeschooling. We are here to share with children our passion for science, hoping more of you will find it as exciting!
Join us on the dedicated website www.scientist-next-door.org and contribute to the forum!
The ISPG welcomes a new member!
Yorick Lassmann joined the group in March 2020 for his Master Thesis. He will be working on the development of new approximations for the Ab Initio Multiple Spawning technique.
Congratulations to Lea on this prize! Her talk was about the photodynamics of thiophenone.
The N8 Research Partnership is a collaborative network between eight of the most research-intensive universities in the North of England. For more information: Meet the New Pioneers.
The ISPG welcomes four new members!
María Eugenia Sandoval-Salinas (Maru) joined the group as a visiting PhD Student. She will be working on the photochemistry of energy-related small molecules.
Lewis Hutton and Emanuele Marsili are new PhD Students in the group, financed by the ERC StG project SINDAM. They will work on the role of nonadiabatic processes in the photochemistry of Volatile Organic Compounds.
Joe Cooper is a 4th-year project student at Durham University. He will work on the excited-state dynamics of pyrone and coumarin.
Our recently accepted article comparing surface hopping and multiple spawning for photoexcitation processes has just been published in J. Phys. Chem. A as part of the Young Scientists Virtual Special Issue!
For more information on this Special Issue:
Our Overview “Different flavors of nonadiabatic molecular dynamics” with Federica Agostini has been selected to feature on the cover of WIRES Comput. Mol. Sci. this month!
Thanks to Valentina Erastova for her help with its design!
The ISPG welcomes two new members!
Dr. Antonio Prlj joined us as a Postdoctoral Researcher working on the excited-state dynamics of atmospheric molecules – financed by the ERC StG project SINDAM.
Jack Taylor started a summer project in the group and will be working with Antonio on the calculation of photoabsorption cross-sections of transient volatile organic compounds.