The structural properties of free nanoclusters are reviewed. Special attention is paid to the
interplay of energetic, thermodynamic, and kinetic factors in the explanation of cluster …

Finding the optimal solution to a complex optimization problem is of great importance in
many fields, ranging from protein structure prediction to the design of microprocessor …

We have developed an efficient method for cluster structure prediction based on the
generalization of particle swarm optimization (PSO). A local version of PSO algorithm was …

The enhancement mechanism due to the molecule-surface chemical coupling in surface-
enhanced Raman scattering (SERS) has been characterized using time-dependent density …

The free atoms of the transition metals have an incomplete d shell in the ground state or in
excited states of small energy. The d electrons are responsible for the most interesting …

The energetics of nanoclusters is investigated for five different metals (Ag, Cu, Au, Pd, and
Pt) by means of quenched molecular dynamics simulations. Results are obtained for two …

We have investigated the lowest-energy structures and electronic properties of the Au n (n=
2–2 0) clusters based on density-functional theory with local density approximation. The …

Interaction of nanoparticles of metals such as Ag, Au, Pt and Pd with graphene has been
examined by employing Raman spectroscopy and first-principles calculations. There is a …

A study has been made of the structures and stabilities of copper and gold clusters and
copper–gold nanoalloy clusters, with up to 56 atoms, modeled by the many-body Gupta …

The fullerenes are the first “free-standing” elemental hollow cages identified by spectroscopy
experiments and synthesized in the bulk. Here, we report experimental and theoretical …