Home | Research | Publications | MSc theses (Magistrske teme)
Matej Kanduč, a senior research associate at the Department of Theoretical Physics of the Jožef Stefan Institute, Ljubljana.
Research focus: Theory and molecular modeling of biological and soft-matter systems
Topics: Molecular interactions, hydrophobicity, wetting, lipids, surfactants, cavitation, simulations
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)
It’s often thought that liquids cannot be stretched — pull on them, and they simply break by forming bubbles. Yet remarkably, plant sap flows under negative pressures of up to –100 atm without forming bubbles. We show that amphiphilic molecules such as lipids can adsorb onto tiny hydrophobic crevices and “passivate” them, preventing nanobubbles that would otherwise trigger cavitation.
M Šako, S Jansen, HJ Schenk, RR Netz, E Schneck, M Kanduč, "How Lipids Suppress Cavitation in Biological Fluids", J. Colloid Interface Sci. 703, 139286 (2026)
HTML Builder