Laboratorij za molekularno modeliranje
Ukvarjamo se z vrsto raziskovalnih tem na področju ved o življenju in materialov uporabljajoč pristope molekularnega modeliranja v kombinaciji z metodami umetne inteligence in strojnega učenja. Naši raziskovalni interesi, ki so na stičišču računske fizike, kemije in uporabne matematike, zajemajo: večskalno modeliranje in simulacijo mehke in biološke snovi, nanofluidiko in simulacije ultrazvoka za biomedicinske aplikacije.
Sodelavke in sodelavci
Vodja laboratorija
Raziskovalke in raziskovalci
Doktorandke in doktorandi
Reprezentativne publikacije
1. Slejko Ema, Coste Amaury, Potisk Tilen, Zavadlav Julija, Praprotnik Matej. Achieving all-atom molecular dynamics accuracy from the Poisson-Boltzmann method through machine learning. The Journal of Chemical Physics. 2026, 164, 054107.
2. Ntarakas Nikolaos, Lah Maša, Svenšek Daniel, Potisk Tilen, Praprotnik Matej. Dissipative particle dynamics models of encapsulated microbubbles and nanoscale gas vesicles for biomedical ultrasound simulations. ACS Applied Nano Materials. 2025, 8, 16053-16070.
3. Jug Matevž, Potisk Tilen, Svenšek Daniel, Praprotnik Matej. Learning macroscopic equations of motion from dissipative particle dynamics simulations of fluids. Computer Methods in Applied Mechanics and Engineering. 2024, 432, 117379.
4. Papež Petra, Merzel Franci, Praprotnik Matej. Sub-THz acoustic excitation of protein motion. The Journal of Chemical Physics. 2023, 159, 135101.
5. Papež Petra, Praprotnik Matej. Dissipative particle dynamics simulation of ultrasound propagation through liquid water. Journal of Chemical Theory and Computation. 2022, 18, 1227–1240.