  A new algorithm for calculating intermolecular pair forces in Molecular
Dynamics (MD) simulations on a distributed parallel computer is presented. The
Arbitrary Interacting Cells Algorithm (AICA) is designed to operate on
geometrical domains defined by an unstructured, arbitrary polyhedral mesh,
which has been spatially decomposed into irregular portions for
parallelisation. It is intended for nano scale fluid mechanics simulation by MD
in complex geometries, and to provide the MD component of a hybrid MD/continuum
simulation. AICA has been implemented in the open-source computational toolbox
OpenFOAM, and verified against a published MD code.
