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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) 




Is It Possible to Follow the Structural Evolution of Water in “No-Man’s Land” Using a Pulsed-Heating Procedure?

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


The Molinero research group gratefully acknowledges its current and past sponsors

NSF logo
ARL logo
Arnold and Mabel Beckman Foundation logo
The Camille and Henry Dreyfus Foundation, Inc. logo
CHPC logo
Agencia logo
Myriad logo
AFOSR logo
DOE Office of Science logo
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Last Updated: 12/7/22