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.
My research focus is on the use and development of molecular modelling techniques for the study of minerals, materials and interactions at their interfaces. I have unique multidisciplinary expertise, that allows me to bring together knowledge from theoretical and experimental chemistry, material and geosciences. I aspire for my work to foster a step-change in computational modelling, moving it from its current mostly academic usage to a tool that can directly impact society
Very warm welcome to Laura and Alex, who will be doing their 4th year research project in the group. They will be using molecular dynamics to study interactions between various ions and layered minerals. Very excited to be working with you! https://erastova.xyz/group/
Fully funded PhD position available in “Molecular Modeling of Materials for Chemical Pollution Remediation” in the School of Chemistry at the University of Edinburgh. Eligibility: UK/EU citizens. Start: 2020, applications will be considered until a candidate is identified. For enquiries contact Dr Valentina Erastova by email.