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
What is the Smallest Zeolite that Could be Synthesized?
D. Dhabal, A. A. Bertolazzo, and V. Molinero
Angewandte Chemie International Edition, e202205095 (2022)
IN THE NEWS: "Synthesizing the Smallest Possible Zeolite"
Exponential Water Uptake in Ionomer Membranes Results from Polymer Plasticization
A. Barnett, J. Karnes, J. Lu, D. Major, J. Oakdale, K. Grew, J. McClure, and V. Molinero
Macromolecules (2022)
I. de Almeida Ribeiro, M. de Koning, and V. Molinero
J. Phys. Chem. Lett. (2022), 13, 4, 1085–1089
Polymorph Selection in Zeolite Synthesis Occurs after Nucleation
A.A. Bertolazzo, D. Dhabal, and V. Molinero
J. Phys. Chem. Lett. (2022), 13, 4, 977–981