Miroslava Nedyalkova-Georgieva

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Mme Miroslava Nedyalkova-Georgieva

Maître assistante

A208
+41 22 379 03 39
Courriel


My research background is in computational chemistry. I was till 2025 a postdoctoral researcher in the Colloids and Interfaces group led by Prof. Marco Lattuada at the Department of Chemistry, University of Fribourg, Switzerland. I am applying an environmental molecular modeling, using computational and experimental approaches to unravel how nanoscale interactions govern the fate of pollutants, the safety of biomaterials, and the design of sustainable interfaces.

I have a PhD in Computational Chemistry through a joint program between Sofia University and the University of Barcelona, where my topic was molecular dynamics simulations to study the dielectric properties of protein-based systems. By dissecting the role of multivalent ions and electric double layer formation, I revealed how electrostatics and interfacial phenomena shape processes central to pollutant adsorption and transport in natural and engineered environments.

As a Fulbright Fellow in the CHARMM group of Prof. Alexander D. MacKerell Jr. at the University of Maryland, I have developed my skills in advanced polarizable force field methods for ionic liquid systems. This research provided mechanistic insight into micelle formation, solvation, and interfacial electrostatics, with direct implications for the use of ionic liquids as environmentally friendly solvents and sorbents for contaminant capture.

In 2022, I was awarded the L’Oréal-UNESCO For Women in Science prize for project combining multivariate statistical modeling and machine learning to predict allergenicity motifs in plant-based proteins.

In my research I am trying to link advanced computational environmental modeling as a tool for connecting fundamental interfacial science to pressing challenges in pollution control, sustainable material design, and environmental safety.


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