Bio-soft matter physics

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Mobirise

Matej Kanduč, a senior research associate at the Department of Theoretical Physics of the Jožef Stefan Institute, Ljubljana.

Research focus: Theoretical modeling and computational simulations of biological and soft-matter systems

Topic: Molecular interactions that drive macroscopic behavior, from lipid membranes and self-assembly to wetting and interfacial phenomena



E-Mail: matej.kanduc@ijs.si

Recent research highlights

Mobirise

Water cavitation results from the kinetic competition of bulk, surface, and surface-defect nucleation events

We studied how and where water breaks under tension by modeling cavitation in bulk, on surfaces, and at tiny defects using molecular simulations. Pure bulk water resists cavitation unless in contact with defect-free hydrophilic surfaces, while hydrophobic surfaces and nanoscopic defects act as efficient bubble seeds. This explains the wide variation in experimentally observed cavitation pressures and highlights the critical role of surfaces and defects in water’s stability.
P. Loche, M. Kanduč, E. Schneck, & R. R. Netz. Physics of Fluids, 37(2) (2025) 

Mobirise

Interface Adsorption versus Bulk Micellization of Surfactants: Insights from Molecular Simulations

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)

Mobirise

The “Berg limit”: A 65° contact angle as the universal adhesion threshold of biomatter

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)

Mobirise

Wetting Behavior of Kerogen Surfaces: Insights from Molecular Dynamics

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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