Vlachas, Pantelis R.;Zavadlav, Julija;Praprotnik, Matej;Koumoutsakos, Petros
Accelerated Simulations of Molecular Systems through Learning of Effective Dynamics
Journal of Chemical Theory and Computation
2021
18
1
538-549

Thaler, Stephan;Zavadlav, Julija
Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting
Nature Communications
2021
12
1

Papadopoulou, Ermioni;Zavadlav, Julija;Podgornik, Rudolf;Praprotnik, Matej;Koumoutsakos, Petros
Tuning the Dielectric Response of Water in Nanoconfinement through Surface Wettability
ACS Nano
2021
15
12
20311-20318