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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
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)
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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