Valentina

Senior Lecturer

School of Chemistry
University of Edinburgh

Consultancy

I provide consultancy and collaborative R&D in molecular-level modelling to support materials design, formulation and process-relevant questions across energy, environment and advanced materials. Using atomistic simulation, HPC and data-driven workflows, I help partners understand how molecules adsorb, move and interact in complex porous materials and at interfaces. My main expertise is in clay minerals, biochar and other carbon materials, and organic-mineral interfaces.

I have experience of industry-funded and knowledge-transfer research through projects with Infineum (diesel crystallisation and cold-flow additives), Procter & Gamble (mixing and separation in polymer systems), and Siam Cement Group/Oxford (hydroxide surfaces for catalytic reactions). More recent applications include sustainable materials, contaminant capture, shale and subsurface systems, H2 storage, and modelling relevant to nuclear waste management. I also develop open-source tools such as ClayCode and DynDen, and can support partners with predictive modelling, interpretation of experimental data, bespoke computational workflows, and training in computational chemistry methods.

All consultancies are undertaken through the University of Edinburgh’s commercial liaison company, Edinburgh Innovations (EI). Please contact Cameron Chalmers with enquiries.