Crystallization of Lennard-Jones nanodroplets: From near melting to deeply supercooled

Purine-Stabilized Green Fluorescent Gold Nanoclusters for Cell Nuclei Imaging Applications

(2014) V. Venkatesh et al.   ACS Applied Materials & Interfaces

Formation of regular polyicosahedral and defected crystalline structures in growing Lennard-Jones clusters

(2014) W. Polak   JOURNAL OF CRYSTAL GROWTH

Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature

(2014) J. A. Sellberg et al.   NATURE

New metastable form of ice and its role in the homogeneous crystallization of water

(2014) John Russo et al.   NATURE MATERIALS

Global and local structure of liquid Lennard-Jones clusters near freezing

(2013) Wieslaw Polak   EUROPEAN PHYSICAL JOURNAL D

Role of gold nanoclusters supported on TiO2(110) model catalyst in CO oxidation reaction

(2013) Anton Visikovskiy et al.   JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A

Heterogeneous nucleation in the low-barrier regime

(2013) Benjamin Scheifele et al.   PHYSICAL REVIEW E

Structural properties of solid nuclei forming in Lennard–Jones clusters during simulated cooling

(2013) W. Polak   Computational and Theoretical Chemistry

The mechanism of emerging catalytic activity of gold nano-clusters on rutile TiO2(110) in CO oxidation reaction

(2012) K. Mitsuhara et al.   JOURNAL OF CHEMICAL PHYSICS

Crystal nucleation and the solid–liquid interfacial free energy

(2012) Vladimir G. Baidakov et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Dynamics Simulations of Competitive Freezing in Gold Nanoclusters

(2012) Cletus C. Asuquo et al.   Journal of Physical Chemistry C

Homogeneous Crystal Nucleation Near a Metastable Fluid-Fluid Phase Transition

(2012) Limei Xu et al.   PHYSICAL REVIEW LETTERS

Nucleation barriers in tetrahedral liquids spanning glassy and crystallizing regimes

(2011) Ivan Saika-Voivod et al.   JOURNAL OF CHEMICAL PHYSICS

Role of the Prestructured Surface Cloud in Crystal Nucleation

(2011) Wolfgang Lechner et al.   PHYSICAL REVIEW LETTERS

The role of fcc tetrahedral subunits in the phase behavior of medium sized Lennard-Jones clusters

(2010) Ivan Saika-Voivod et al.   JOURNAL OF CHEMICAL PHYSICS

Crystal nucleation rate isotherms in Lennard-Jones liquids

(2010) Vladimir G. Baidakov et al.   JOURNAL OF CHEMICAL PHYSICS

Test of classical nucleation theory and mean first-passage time formalism on crystallization in the Lennard-Jones liquid

(2009) Sarah E. M. Lundrigan et al.   JOURNAL OF CHEMICAL PHYSICS

Crossover from nucleation to spinodal decomposition in a condensing vapor

(2009) Jan Wedekind et al.   JOURNAL OF CHEMICAL PHYSICS

Crystal Nucleation in a Supercooled Liquid with Glassy Dynamics

(2009) Ivan Saika-Voivod et al.   PHYSICAL REVIEW LETTERS

Statistically optimal analysis of samples from multiple equilibrium states

(2008) Michael R. Shirts et al.   JOURNAL OF CHEMICAL PHYSICS

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

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

Kinetic Reconstruction of the Free-Energy Landscape

(2008) Jan Wedekind et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Effects of simultaneous doping with boron and phosphorous on the structural, electronic and optical properties of silicon nanostructures

(2008) F. Iori et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Evidence for a size-dependent transition between noncrystalline structures and crystalline structures with defects in frozen Lennard-Jones clusters

(2008) W. Polak   PHYSICAL REVIEW E

Comment on “Elucidating the Mechanism of Nucleation near the Gas-Liquid Spinodal”

(2008) Lutz Maibaum   PHYSICAL REVIEW LETTERS