Heterogeneous seeded molecular dynamics as a tool to probe the ice nucleating ability of crystalline surfaces

Role of stacking disorder in ice nucleation

(2017) Laura Lupi et al.   NATURE

Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation

(2017) Martin Fitzner et al.   Nature Communications

Enhanced heterogeneous ice nucleation by special surface geometry

(2017) Yuanfei Bi et al.   Nature Communications

Water at Interfaces

(2016) Olle Björneholm et al.   CHEMICAL REVIEWS

Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations

(2016) Gabriele C. Sosso et al.   CHEMICAL REVIEWS

Seeding approach to crystal nucleation

(2016) Jorge R. Espinosa et al.   JOURNAL OF CHEMICAL PHYSICS

Pre-ordering of interfacial water in the pathway of heterogeneous ice nucleation does not lead to a two-step crystallization mechanism

(2016) Laura Lupi et al.   JOURNAL OF CHEMICAL PHYSICS

Ice formation on kaolinite: Insights from molecular dynamics simulations

(2016) Gabriele C. Sosso et al.   JOURNAL OF CHEMICAL PHYSICS

Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations

(2016) Matteo Salvalaglio et al.   JOURNAL OF CHEMICAL PHYSICS

Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline

(2016) Philipp Pedevilla et al.   Journal of Physical Chemistry C

Heterogeneous Ice Nucleation Controlled by the Coupling of Surface Crystallinity and Surface Hydrophilicity

(2016) Yuanfei Bi et al.   Journal of Physical Chemistry C

Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces: Zooming in on Kaolinite

(2016) Gabriele C. Sosso et al.   Journal of Physical Chemistry Letters

What Determines the Ice Polymorph in Clouds?

(2016) Arpa Hudait et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Direct observation of ice nucleation events on individual atmospheric particles

(2016) Bingbing Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Active sites in heterogeneous ice nucleation—the example of K-rich feldspars

(2016) Alexei Kiselev et al.   SCIENCE

Competition between ices Ih and Ic in homogeneous water freezing

(2015) Alberto Zaragoza et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular simulations of heterogeneous ice nucleation. I. Controlling ice nucleation through surface hydrophilicity

(2015) Stephen J. Cox et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers

(2015) Stephen J. Cox et al.   JOURNAL OF CHEMICAL PHYSICS

Simulations of Ice Nucleation by Kaolinite (001) with Rigid and Flexible Surfaces

(2015) Stephen A. Zielke et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity

(2015) Martin Fitzner et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stacking disorder in ice I

(2015) Tamsin L. Malkin et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Ice nucleation on carbon surface supports the classical theory for heterogeneous nucleation

(2015) Raffaela Cabriolu et al.   PHYSICAL REVIEW E

Direct calculation of ice homogeneous nucleation rate for a molecular model of water

(2015) Amir Haji-Akbari et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Effects of surface interactions on heterogeneous ice nucleation for a monatomic water model

(2014) Aleks Reinhardt et al.   JOURNAL OF CHEMICAL PHYSICS

Note: Heterogeneous ice nucleation on silver-iodide-like surfaces

(2014) Guillaume Fraux et al.   JOURNAL OF CHEMICAL PHYSICS

Impact of surface nanostructure on ice nucleation

(2014) Xiang-Xiong Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

A Molecular Mechanism of Ice Nucleation on Model AgI Surfaces

(2014) Stephen A. Zielke et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Heterogeneous Nucleation of Ice on Carbon Surfaces

(2014) Laura Lupi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The microscopic features of heterogeneous ice nucleation may affect the macroscopic morphology of atmospheric ice crystals

(2013) Stephen J. Cox et al.   FARADAY DISCUSSIONS

Structural cluster analysis of chemical reactions in solution

(2013) Grégoire A. Gallet et al.   JOURNAL OF CHEMICAL PHYSICS

Homogeneous Ice Nucleation at Moderate Supercooling from Molecular Simulation

(2013) E. Sanz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ten things we need to know about ice and snow

(2013) Thorsten Bartels-Rausch   NATURE

Anatomical regulation of ice nucleation and cavitation helps trees to survive freezing and drought stress

(2013) A. Lintunen et al.   Scientific Reports

Ice nucleation by particles immersed in supercooled cloud droplets

(2012) B. J. Murray et al.   CHEMICAL SOCIETY REVIEWS

Non-hexagonal ice at hexagonal surfaces: the role of lattice mismatch

(2012) Stephen J. Cox et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Update of the Cholesterol Force Field Parameters in CHARMM

(2011) Joseph B. Lim et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Homogeneous ice nucleation from supercooled water

(2011) Tianshu Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Is it cubic? Ice crystallization from deeply supercooled water

(2011) Emily B. Moore et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Role of the Prestructured Surface Cloud in Crystal Nucleation

(2011) Wolfgang Lechner et al.   PHYSICAL REVIEW LETTERS

Supercooling of water droplets in jet aviation fuel

(2010) Benjamin J. Murray et al.   FUEL

Crystal nucleation of hard spheres using molecular dynamics, umbrella sampling, and forward flux sampling: A comparison of simulation techniques

(2010) L. Filion et al.   JOURNAL OF CHEMICAL PHYSICS

Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites, and Water Models

(2010) Pär Bjelkmar et al.   Journal of Chemical Theory and Computation

Freezing, melting and structure of ice in a hydrophilic nanopore

(2010) Emily B. Moore et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Forward flux sampling for rare event simulations

(2009) Rosalind J Allen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Solution Conformation of C-Linked Antifreeze Glycoprotein Analogues and Modulation of Ice Recrystallization

(2009) Roger Y. Tam et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

In situ detection of biological particles in cloud ice-crystals

(2009) Kerri A. Pratt et al.   Nature Geoscience

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Water Modeled As an Intermediate Element between Carbon and Silicon†

(2008) Valeria Molinero et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

(2008) Alessandro Barducci et al.   PHYSICAL REVIEW LETTERS

P-LINCS:  A Parallel Linear Constraint Solver for Molecular Simulation

(2007) Berk Hess   Journal of Chemical Theory and Computation