Abstract. The type system of Objective Caml has many unique features, which make ensuring the correctness of its implementation difficult. One of these features is structurally pol...
Bulk Synchronous Parallel ML (BSML) is an extension of the functional language Objective Caml to program Bulk Synchronous Parallel (BSP) algorithms. It is deterministic, deadlock ...
: For the new parallel implementation of electronic structure methods in ACES III (Lotrich et al., in preparation) the present state-of-the-art algorithms for the evaluation of ele...
The Dreiding force field is a seven-term equation that describes the potential energy in a molecule as a function of the relative positions of bonded atoms and electrostatic inte...
John S. Conery, Warner L. Peticolas, Thomas Rush I...