1.

Interconnection networks for parallel molecular dynamics simulation based on hamiltonian cubic symmetric topology.

A class of interconnection networks for efficient parallel MD simulations based on Hamiltonian cubic symmetric graphs is presented. Analyzing these communication routines shows that Hamiltonian cubic symmetric graphs of small diameter are good candidates for a topology that gives rise to an interconnection network with excellent properties, allowing faster communication and thus speeding up parallel MD simulation.

COBISS.SI-ID: 3964698

2.

Circulene covered fullerenes.

Covering fullerenes by circulene bowl-shaped units can be performed by using operations on maps, geometrical-topological transformations of a polyhedral tessellation. Quantum chemical calculations and the HOMO geometric index of aromaticity are used to evaluate the stability of the novel designed fullerenes.

COBISS.SI-ID: 4107034