Final year PhD student studying as part of the ICE group and completing qualification under the Syntech CDT.
My research interests revolve around the use of machine-learned potentials for simulating complex and extended molecular systems. Specifically, I investigate systems containing CO2 and water and try to better understand the way in which these molecules interact with each other. Research highlights include simulating bulk CO2-H2O systems relevant to carbon capture and storage technologies as well as investigating acidification processes at the ocean surface.
Currently, I am using machine-learned potentials to investigate defective carbon and the role of vacancies in facilitating chemical reactions.
Publications
CO
2
hydration at the air–water interface: A surface-mediated “in-and-out” mechanism
– Proceedings of the National Academy of Sciences
(2025)
122,
e2502684122
(doi: 10.1073/pnas.2502684122)
Unexpected oversolubility of CO2 measured at electrode-electrolyte interfaces
(2025)
(doi: 10.26434/chemrxiv-2025-r7jr6)
PLUMED Tutorials: A collaborative, community-driven learning ecosystem.
– The Journal of chemical physics
(2025)
162,
092501
(doi: 10.1063/5.0251501)
CO2 Hydration at the Air-Water Interface: A Surface-Mediated 'In and
Out' Mechanism
(2025)
The wetting of H2O by CO2
– The Journal of chemical physics
(2024)
161,
084711
(doi: 10.1063/5.0224230)
Interaction Potential for NaCs for Ultracold Scattering and Spectroscopy.
– The journal of physical chemistry. A
(2022)
126,
3987
(doi: 10.1021/acs.jpca.2c01810)