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Last updated February 2026 |
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Dr. Stuart J. GreavesDynamics and StructureInstitute of Chemical Sciences Heriot-Watt University Edinburgh EH14 4AS |
Phone: +44 (0)131 451 4165
E-mail: s.j.greaves@hw.ac.uk |
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Research Overview
I study molecular reaction dynamics using complimentary experimental and theoretical methods. The mechanisms of a variety of atom + molecule reactions are studied theoretically using Quasi-Classical trajectories both on-the-fly and on ab initio potential energy surfaces. Experimentally I use the velocity map ion-imaging technique to measure reaction differential cross-sections. The reaction systems currently under study are described in more detail in the research section of this site, but recent successes are described in brief below.
Near-Surface Velocity-Map Imaging
The curent focus of my experimental work is the application of the velocity-map imaging (VMI) technique, where electric fields are used to map ions with the same velocity onto the same point on a position sensitive detector, to interfacial scattering. By bringing the ionization region of the VMI apparatus near to the surface it is possible to record state-specific velocity distributions of molecules scattered from surfaces.
A manuscript describing this approach has recently been published in the Journal of Physical Chemistry A.
Ultrafast reaction dynamics in solution
One strand of my experimental research looks beyond the gas-phase to study the dynamics of solution phase reactions in 'real time' using ultrafast lasers. As part of a team from the Bristol Laser Chemistry group, I participated in a series of ground breaking condensed phase dynamics experiments conducted at the ULTRA laser facility at the Rutherford Appleton Laboratory in September 2009 and May/June 2010 (total of 5 weeks access time). A manuscript describing this work has been published in the journal Science (full reference below) along with a perspective article from Prof. Stephen Bradforth, see also the comment in Nature Chemistry from F. Flemming Crim, press releases from the STFC and Bristol University. A more in depth exploration of this work has been published in the Journal of Chemical Physics here and has been chosen as one of their research highlights, which can be found here.
Tug-of-War inelastic collisions in the H + D2 reaction
This work has been carried out with
Eckart Wrede and in collaboration with the group of
Richard N. Zare and their
reaction dynamics experiment.
Trajectory movies of this molecular tug-of-war which can be seen here.
This work has been published in the journal Nature, see reference below, also the press release on the University of Bristol home page, here and the story on the School of Chemistry news site.
Current Research Funding
EPSRC Programme Grant EP/T021675/1 'New Directions in Molecular Scattering'
I am a co-investigator on this grant, along with principal investigator Ken McKendrick, and co-investigators Matt Costen and Martin Paterson. This is a 'Programme' grant, which funds all of our work in molecular scattering dynamics. It is jointly held with Prof Mark Brouard, Prof Claire Vallance and Prof Stuart Mackenzie at the University of Oxford.
Recent Research Funding
EPSRC Grant EP/P001459/1 'Dynamical Chemical Processes'
I was a co-investigator on this grant, along with principal investigator Ken McKendrick, and co-investigators Matt Costen, Martin Paterson and Dave Townsend. This was a 'Platform' grant, enabling us to retain our core post-doctoral staff and to develop their careers. We used it to develop our collaborations between experiment and theory, both internally and with external collaborators. We were also able to perform 'proof-of-concept' studies, which paved the way for our current Programme and Standard mode grants.
EPSRC Grant EP/J002534/2 'Dynamics of Gas-Liquid Reactions; The Pseudo-Surface Approach'
I have been awarded an EPSRC Career Acceleration Fellowship to use high resolution gas phase reaction dynamics methodologies to study reactive and inelastic collisions that mimic gas-liquid interactions, further details can be found here.
EPSRC Grant EP/M021823/1 'Reactive Scattering Dynamics at the Gas-Liquid Interface: Bridging the Gap between the Gas-Phase and Solution'
I am a co-investigator on this grant, along with Ken McKendrick, while Matt Costen is the principal investigator. The project uses applies NIR and IR Frequency-Modulated Transient Absorption Spectroscopy to the study of reactive and inelastic collisions of CN and HCN with gas-liquid interfaces. It is co-funded with a theoretical project (EP/M022129/1) led by Dr Dave Glowacki (Bristol, UK).
Selected Publications
Beating Tunnel Vision: Near-Surface Velocity-Map ImagingThe Journal of Physical Chemistry A (2026) 130, 1713–1727 doi: acs.jpca.5c08379 |
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Vibrational relaxation and microsolvation of DF after F-atom reactions in polar solventsScience 347 530–533 (2015) |
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Vibrationally resolved dynamics of the reaction of Cl atoms with 2,3-dimethylbut-2-ene in chlorinated solvents.Chemical Science, 4 226–237, (2013). |
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Science report and front cover: Vibrationally quantum-state-specific reaction dynamics of H atom abstraction by CN radical in solution.Science, 331 1423–1426, (2011). |
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Velocity map imaging of the dynamics of bimolecular reactions.Phys. Chem. Chem. Phys., 12 9129 (2010). doi:10.1039/C001233E |
Vibrational excitation through tug-of-war inelastic collisions.Nature, 454 88–91, (2008). |
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A full list of publications can be found here
About me
I am an EPSRC Career Acceleration Fellow working with the Chemical Dynamics Group in the Institute of Chemical Sciences at Heriot-Watt University.