Group members and collaborators
Current group members

Name: Grant Hill
Position: PI
Education: MChem and PhD from the University of York
Likes: Cycling

Name: Robert Shaw
Position: Postdoc
Working on: Machine learning in basis set development
Likes: Cats and IT technical support

Name: Jaz Catlow
Position: PhD student (joint with the Partridge group)
Working on: Reaction mechanism prediction
Likes: Running columns

Name: Adam Hill
Position: PhD student (joint with the Meijer group)
Working on: Potential energy surfaces
Likes: Video gaming and power cuts

Name: Harry Nash
Position: MChem student
Working on: Machine learning potential energy surfaces
Likes: Conda environments

Name: Alex Wolfe
Position: MSc(Res) student
Working on: Reaction mechanism prediction
Likes: Getting lost down rabbit-holes
Alumni
Chloe Wilson
Rory Cowin
Robert Shaw
Ollie Radford
Henry Stothard
Tristan J-Wood
Dan Chesman
Adam Hill
Stella Kritikou
Dr Olga Ershova
Hannah Fowler
Abigail Sinclair
Rose Lawlor
Matthew W-Jones
Robert Shaw
19-20
19-20
16-19
18-19
18-19
17-18
17-18
17-18
14-17
16-17
16-17
16-17
15-16
14-15
14-15
MChem project student
MChem project student
PhD student
MChem project student
MChem project student
MChem project student
MChem project student
MChem project student
PhD student
Postdoc
MChem project student
MChem project student
MChem project student
MChem project student
MChem project student
Beyond the σ-hole bonding model.
Developing 36 electron pseudopotential basis sets for rubidium.
Low-scaling correlated methods for intermolecular interactions.
The competition between intermolecular interactions in organic salts.
The molecular dynamics of HIV-1 protease.
FRET at the short end: A molecular dynamics and in vitro study.
Basis sets for high-accuracy calculations involving ytterbium atoms.
The effect of solvent polarity on halogen bonding.
An accurate protocol for transition metal systems.
Potential energy surfaces for the chemistry of cold matter.
Optimising correlation consistent basis sets for ytterbium.
An investigation into the competition between halogen and chalcogen bonding.
Theoretical insights into the nature of lithium bonding.
A computational study on the microsolvation of saligenin.
A simple model for halogen bonds.
Collaborators
Craig Murray (UC Irvine). Craig's group uses a variety of laser-based spectroscopic techniques to explore fundamental atmospheric chemical processes. High-accuracy multi-reference theoretical methods are vital to fully understanding the results.
Aloke Das (IISER Pune). Our research collaboration is based on exploring non-covalent interactions. Aloke's group does this experimentally, typically using a supersonic jet expansion and REMPI spectroscopy. We help guide and interpret these experiments using cutting-edge quantum chemical methods, including Franck-Condon simulations.
Tony Legon (Bristol). This collaboration combines microwave spectroscopy and theoretical calculations to probe the nature of halogen and hydrogen bonds.
Kirk Peterson (Washington State). Grant did a postdoc in the Peterson group, which specialises in basis set development, composite thermochemistry and large-scale potential energy surfaces.
Hans-Joachim Werner (Stuttgart). The Werner group are best known for ab initio method development, but they also have interests in the dynamics of chemical reactions and potential energy surfaces.
Jamie Platts (Cardiff). Grant did his first postdoc in the Platts group, which has a keen interest in exploring intermolecular interactions and studying pharmaceutical compounds.