fragment of The Great Wave off Kanagawa by Hokusai
We investigate the interplay between microscopic structure, dynamics and phase transformations in materials using computer simulations and theory
structure of liquid water • thermodynamic anomalies • hydration thermodynamics • water-mediated interactions • supercooled water • solvation structure and association of ions in water • hydrophobic attraction • wetting-drying transitions • nucleation and growth of ice • mechanisms of formation of clathrate hydrates • heterogeneous nucleation of ice on aerosols • fuel cell membranes • quasicrystals • liquid crystals • coarse-grained models • tetrahedral liquids • capillary condensation • confined ices
Recent Publications
Liquid-Liquid Transition in a Machine-Learned Coarse grained Water Model
D. Dhabal, R. Kumar, and V. Molinero
ChemRxiv (2024)
A. Zaragoza, M. Factorovich, and V. Molinero
Functional aggregation of cell-free proteins enables fungal ice nucleation
R. Schwidetzky, I. de Almeida Ribeiro, N. Bothen, A. Backes, A.L. DeVries, M. Bonn, J. Fröhlich-Nowoisky, V. Molinero, and K. Meister
Proceedings of the National Academy of Sciences 120 (46) e2303243120
Nanobubble Stability and Formation on Solid–Liquid Interfaces in Open Environments
E.D. Gadea, V. Molinero, and D.A. Scherlis
Nano Letters (15), 7206-7212 (2023)