With the aid of computer modelling, I provide molecular-level insights for systems ranging from polymers to minerals. I focus on studying the dynamics within the materials, state transitions, as well as their properties and interfaces.
The applications of my research are numerous, such as abiogenetic origins of life, enhanced oil recovery, crystal formation and growth prevention, modifications of layered materials for desired functionality, soil and water pollution and remediation, separation of polymeric matrices, and software development.
Laura 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 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.
Two E4 PhD studentships available:
MOLECULAR MODELING FOR DESIGN OF BIOCHAR MATERIALS
WEATHERING OF CLAYS UNDER EXTREME CONDITIONS
Joining the Group – Masters, PhD and PostDoctoral Opportunities
Visiting the Group – Our group is a host for HPC-Europa, Pan-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.
PhD studentship through E4 DOCTORAL TRAINING PARTNERSHIP The project brings molecular modeling into biochar research, providing atomistic details to the key properties of biochar, and through this enabling the informed design and optimization of biochar for desirable functionality. Full project description here Supervisors Valentina Erastova and Ondrej Masek, UK Biochar Research Centre Start: September 2020 … Continue reading PhD “Molecular Modeling for Design of Biochar Materials”
PhD studentship through E4 DOCTORAL TRAINING PARTNERSHIP “Weathering of Clays under Extreme Conditions: Implications for the Biosphere and Extraterrestrial Environments” Full project description here Supervisors Dr Valentina Erastova and Prof Charles Cockell, UK Centre for Astrobiology Start: September 2020 Eligibility: Fully funded for UK and EU (with ILR) citizens Deadline: 9th January 2020 Application process information … Continue reading PhD “Weathering of Clays under Extreme Conditions”