Interatomic potentials approximate the potential energy of atoms as a function of their
coordinates. Their main application is the effective simulation of many-atom systems. Here …

We develop an empirical potential for silicon which represents a considerable improvement
over existing models in describing local bonding for bulk defects and disordered phases …

We use recent theoretical advances to develop a functional form for interatomic forces in
bulk silicon. The theoretical results underlying the model include an analysis of elastic …

We have performed a comparative study of six classical many-body potentials for silicon
(Pearson, Takai, Halicioglu, and Tiller; Biswas and Hamann; Stillinger and Weber; Dodson …

We report the results of investigations into the behavior of the crystalline and liquid phases
of silicon and germanium as they are modeled by the Tersoff and modified-embedded-atom …

We propose a model for energetics of solids, based on a direct solution for the density matrix
directly from the Hamiltonian. The approach is suitable for obtaining an approximate, finite …

We provide a systematic test of empirical theories of covalent bonding in solids using an
exact procedure to invert ab initio cohesive energy curves. By considering multiple …

We have used a new, approximate method for computing total energies and forces in
covalent systems and investigated the electronic and vibrational spectra and equilibrium …

An interatomic potential has been developed to describe interactions in silicon, carbon and
silicon carbide, based on the environment-dependent interatomic potential (EDIP)(Bazant et …

This article discusses simple but realistic models of the bonding in metallic systems. As is
discussed in the introduction, such methods are valuable both to study complex systems that …