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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 (2022)

In the News: "Synthesizing the Smallest Possible Zeolite"


Unstable and Metastable Mesophases Can Assist in the Nucleation of Porous Crystals

A. A. Bertolazzo, D. Dhabal, and V. Molinero

J. Phys. Chem. C (2022), 126, 7, 3776–3786

 

 

 


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
University of Utah logo
Last Updated: 5/23/22