It is now 100 years since Lennard-Jones published his first paper introducing the now
famous potential that bears his name. It is therefore timely to reflect on the many …

The stationary points of a potential energy surface provide a convenient framework for
coarse-graining calculations of thermodynamics and kinetics. Thermodynamic properties …

This overview of energy landscapes will focus on some rigorous properties of potential
energy surfaces (PES's), especially the symmetry properties of steepest-descent paths, and …

In the 1990s, nanoparticles and quantum dots began to be used in optical, electronic, and
biological applications. Now they are being studied for use in solid-state quantum …

In this paper we address some of the unique, novel and basic features of clusters, which
involve the physical and chemical consequences of their large surface/volume ratio and the …

Water is the most ubiquitous substance on Earth, and it is known to have anomalous
macroscopic and microscopic properties. 1'2 A decrease of viscosity with pressure, a large …

A direct connection between the solid-liquid transition in atomic clusters and the
macroscopic phase transition is established through analysis of the size scaling of the latent …

There is continued interest in making and studying small atomic clusters. Many series of
elemental clusters have been characterized in detail with a variety of experimental …

Familiar concepts for small molecules may require reinterpretation for larger systems. For
example, rearrangements between geometrical isomers are usually considered in terms of …

Investigations of the thermal evolution of structural and dynamic properties of gold
nanocrystalline clusters of variable size (Au 75, Au 146, and Au 459) were performed using …