Direct observations of shape fluctuation in long-time atomistic simulations of metallic nanoclusters

Structure, thermodynamics, and rearrangement mechanisms in gold clusters—insights from the energy landscapes framework

(2018) D. Schebarchov et al.   Nanoscale

Cluster analysis of accelerated molecular dynamics simulations: A case study of the decahedron to icosahedron transition in Pt nanoparticles

(2017) Rao Huang et al.   JOURNAL OF CHEMICAL PHYSICS

Long-time molecular dynamics simulations on massively parallel platforms: A comparison of parallel replica dynamics and parallel trajectory splicing

(2017) Danny Perez et al.   JOURNAL OF MATERIALS RESEARCH

Size-dependent crystalline fluctuation and growth mechanism of bismuth nanoparticles under electron beam irradiation

(2016) Sujuan Wu et al.   Nanoscale

The parallel replica dynamics method – Coming of age

(2015) Danny Perez et al.   COMPUTATIONAL MATERIALS SCIENCE

Metallic nanoparticles meet metadynamics

(2015) L. Pavan et al.   JOURNAL OF CHEMICAL PHYSICS

Long-Time Dynamics through Parallel Trajectory Splicing

(2015) Danny Perez et al.   Journal of Chemical Theory and Computation

Time-Dependent Density Functional Theory Studies of Optical Properties of Au Nanoparticles: Octahedra, Truncated Octahedra, and Icosahedra

(2015) Gyun-Tack Bae et al.   Journal of Physical Chemistry C

Metastability of the atomic structures of size-selected gold nanoparticles

(2015) Dawn M. Wells et al.   Nanoscale

Morphology transition mechanism from icosahedral to decahedral phase during growth of Cu nanoclusters

(2015) Alexey A. Tal et al.   PHYSICAL REVIEW B

Shape- and Symmetry-Dependent Mechanical Properties of Metallic Gold and Silver on the Nanoscale

(2013) Mahmoud A. Mahmoud et al.   NANO LETTERS

Observation time scale, free-energy landscapes, and molecular symmetry

(2013) D. J. Wales et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Automated identification and indexing of dislocations in crystal interfaces

(2012) Alexander Stukowski et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Determination of the Ground-State Atomic Structures of Size-Selected Au Nanoclusters by Electron-Beam-Induced Transformation

(2012) Z. W. Wang et al.   PHYSICAL REVIEW LETTERS

Stepwise Evolution of Spherical Seeds into 20-Fold Twinned Icosahedra

(2012) M. R. Langille et al.   SCIENCE

Structural Dynamics of Low-Symmetry Au Nanoparticles Stimulated by Electron Irradiation

(2011) Bingsen Zhang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Size-Dependent Catalytic Activity and Dynamics of Gold Nanoparticles at the Single-Molecule Level

(2009) Xiaochun Zhou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural stability of icosahedral FePt nanoparticles

(2009) Rongming Wang et al.   Nanoscale

Single-molecule nanocatalysis reveals heterogeneous reaction pathways and catalytic dynamics

(2008) Weilin Xu et al.   NATURE MATERIALS