Valentina Erastova

Dr. Valentina Erastova is a Chancellor's Fellow and Lecturer at the University of Edinburgh, leading her research group focused on molecular modeling of natural materials. Her work bridges computational chemistry with environmental applications, astrobiology, and materials science.

Research Interests: Her multidisciplinary research investigates mineral-organic interactions across diverse domains:

• Origins of life mechanisms and biosignature preservation
• Pollution remediation in soil/water systems
• Enhanced oil recovery and fuel additive design
• Development of computational tools (ClayCode, Assemble!) for material simulations
• Biochar modeling for carbon sequestration

Publication Trends: Her recent articles demonstrate consistent focus on molecular dynamics simulations of mineral surfaces (clays, layered hydroxides) with applications spanning prebiotic chemistry, petroleum engineering, and environmental remediation. Key methodologies include advanced sampling techniques and software development for complex material systems.

Awards & Recognition:

• Chancellor's Fellowship for pioneering research

Research Leadership: Leads the Erastova Group with 3 PhD students investigating clay-pollutant interactions (Hannah Pollak), biochar modeling (Audrey Ngambia), and astrobiological preservation (Sarah Stewart). Organizes international workshops including the CECAM Biochar Molecular Models workshop.