In this review a systematic analysis of the potential energy landscape (PEL) of glass-forming
systems is presented. Starting from the thermodynamics, the route towards the dynamics is …

Mode-coupling theory is an approach to the study of complex behavior in the supercooled
liquids which developed from the idea of a nonlinear feedback mechanism. From the …

Accurate and efficient prediction of melting points for complex molecules is still a
challenging task for molecular simulation, although many methods have been developed …

After a brief introduction to the dynamics of supercooled liquids, we discuss some of the
advantages and drawbacks of computer simulations of such systems. Subsequently we …

Understanding thermodynamics in liquids at the atomic level is challenging because of
strong atomic interactions and lack of spatial symmetry. Recent prior theoretical works have …

Molecular-dynamics simulations are performed using isobaric− isoenthalpic (NPH)
ensembles to predict the melting of nanosized aluminum particles in the range of 2− 9 nm …

These notes review the potential energy landscape thermodynamic formalism and some of
its recent applications to the study of supercooled glass forming liquids. They also review the …

We numerically investigate the supercooled dynamics of two simple model liquids exploiting
the partition of the multidimensional configuration space in basins of attraction of the …

The properties of higher-index saddle points have been invoked in recent theories of the
dynamics of supercooled liquids. Here we examine in detail a map** of configurations to …

Molecular dynamics simulations are used to generate an ensemble of saddles of the
potential energy of a Lennard-Jones liquid. Classifying all extrema by their potential energy …