We are based at the School of Chemistry of the University of Edinburgh

and member of UK Centre for Astrobiology

and Centre for Science at Extreme Conditions





Dr Valentina Erastova – Chancellor’s Fellow

More information and contact details – here



LauraLaura Muckersie – BSc student (2019 – 2020)

Laura is in her final year of BSc in Chemistry. Laura’s BSc project focuses on using molecular dynamics simulations to study adsorption mechanisms of a range of ions on silicate clays.


Alex Tsioutsios – BSc student (2019 – 2020)Alex

Alex is from Greece, and on his 4th year of Medicinal and Biological Chemistry degree. After graduating he would like to continue with chemistry research in either industry or academia. For his project, Alex is using molecular modeling to screen interactions in natural and synthetic layered minerals.

Joining the Group:

PhD positions available:

More information on Masters, PhD and PostDoctoral Opportunities here

Visiting the Group:

Our group is a host for HPC-EuropaPan-European Research Infrastructure on High-Performance Computing. If you are interested in a collaboration, please get in touch with Valentina about EPCC visit through the Transnational Access Program.


DebDebashish Banerjee – visiting PhD student (summer 2019)

Deb is a PhD student in the group of Prof Andrey Kalinichev at the Department of Subatomic Physics and Associated Technologies (Subatech), IMT Atlantique, Nantes, France.  Through molecular modeling, Deb studies the fate of radioactive waste in the environment, in particular interactions between radionuclides with the encapsulating natural French clays, and the effects of common small organic molecules.

ShansiDr Shansi Tian

Shansi first visited Greenwell Group at Durham University, where Valentina was a postdoc, as a PhD student in 2017. Since then we have been working on molecular modeling of clay-oil interactions for the enhanced oil recovery, focusing on the heavy oils common in China. Shansi defended his thesis in 2019 and now is a Leader of Unconventional Oil and Gas Laboratory in the Northeast Petroleum University of China.