Valentina Erastova


Accepting PhD Students

PhD projects

Molecular Modeling of Materials for Chemical Pollution Remediation

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Personal profile

My research in a nutshell

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.


I was born in Russia and came to the UK for my undergraduate degree in chemistry at Durham University. After my Master's research in Universidad de Santiago de Compostela (Spain) under the Erasmus program, I won an ORSAS scholarship to sponsor my PhD in computational chemistry back in Durham University. I then worked across material chemistry and geosciences, studying molecular phenomena at solid interfaces with aid of methodologies I personally developed. 

In 2019 I started Chancellor's Fellowship in Materials and Manufacture, at the School of Chemistry of the University of Edinburgh. My aim is to generate a geoenvironmental knowledgebase, combining molecular modelling with geochemical data to guide the design of sustainable materials for drug-pollution sequestration.



Visiting and Research Positions

Visitor at Department of Physics, Durham University

Positions available

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, with a potential to apply for additional scholarship to cover overseas tuition fees.

Start: 2020, applications will be considered until a candidate is identified.

For enquiries contact Dr Valentina Erastova by email, attaching your CV and a brief descriptio of research interests.


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