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Matej Kanduč is a senior research associate at the Department of Theoretical Physics of the Jožef Stefan Institute, Ljubljana.
His research focuses on the theoretical description of biological and soft-matter systems using methods of computer simulations.
E-Mail: matej.kanduc@ijs.si
We have identified a "hydrophobicity threshold" for the spontaneous self-assembly of lipid monolayers on solid surfaces. Above a critical surface contact angle of 65±5°, lipids can spontaneously adsorb in the form of a monolayer. This guideline is critical for improving biocompatibility and reducing unwanted adhesion.
M. Šako, F. Staniscia, E. Schneck, R.R. Netz, M. Kanduč, "Conditions for the stable adsorption of lipid monolayers to solid surfaces," PNAS Nexus, pgad190 (2023)
We introduced a novel framework that enhances atomistic MD simulations by combining them with general thermodynamic principles, overcoming previous limitations in predicting surfactant behavior on timescales beyond traditional MD simulations (about ~1 µs).
M. Kanduč, C. Stubenrauch, R. Miller, and E Schneck, J. Chem. Theory Comput. 20, 1568 (2024)
The water contact angle is key in surface phenomena like hydrophobic attraction and biofouling. At around 65°, known as the "Berg limit," surfaces start to experience the first signs of hydrophobicity. This angle's significance in various situations is unclear. Our findings show that attractions occur when surfaces are oil-friendly underwater, which coincides with the Berg limit. This understanding offers insights for macromolecular interactions and technology applications.
M. Kanduč, E. Schneck, R.R. Netz, "Understanding the ''Berg limit'': The 65° contact angle as the universal adhesion threshold of biomatter, " Phys. Chem. Chem. Phys. 26, 713 (2024)
MD simulations reveals how droplet size, morphology, and surface roughness affect the wettability of kerogen surfaces in oil shale reservoirs: minor nanostructural changes in kerogen can significantly influence its preference for wetting, which is crucial for optimizing fluid management strategies in carbon storage and oil extraction.
N. Sanchouli, S. Babaei, M. Kanduč, F. Molaei, M. Ostadhassan, Langmuir 40, 5715 (2024)
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