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TOPIC: NEMS design

The design and initial steps of electronic density validation were presented previously. Simulation with Graphene supports was investigated, but it was decided to retain the frozen BCs for now. In M24 we reported the first adsorbed benzene molecules, but for better statistics we determined that a larger object, such as a half-ring is needed to obtain unequivocal statistics. We thank Yuval Yaish and Sharon Maliniak from our local experimental group for discussions on this aspect.

[ Validation of new codes ]