PARALLEL COMPUTATION OF THE MATRIX OF THE CHEMICAL DISTANCES ON THE CONNECTION MACHINE

We report here the parallel implementation of an original algorithm al lowing a fast calculation of the distance matrix D of a graph represen ting a given chemical structure (molecule, polymer, crystal, etc.). Ou r algorithm fits perfectly in the SIMD parallel architecture of the Co nnection Machines CM-200 as we shall show. After discussing the perfor mances of the parallel evaluation of D, we will end with a relevant ap plication concerning C-60 and C-70 fullerenes. The present study appli es to a generic globally connected graph without any restriction on th e local connectivity of each graph's vertex.