Computational nanotechnology

Research Field (Center)
How high will a polyyne rod jump when compressed and charged by 10 kcal/mol? QM and MD methods where employed to answer this question

Hoz’s group is using quantum mechanics to investigate the extent to which the laws of mechanical engineering apply at the nano – molecular level. The group discovered that the hardness of polyyne rods is 40 times that of diamonds – the hardest known material in nature. They have also shown that prismane rods demonstrate an “auxetic ”effect, and that carbon nanotubes Could be barcoded using electrical fields.

Last Updated Date : 10/05/2021