Goldbeck-Wood G. – TechConnect Briefs

Unravelling the interaction of ammonia with carbon nanotubes

Oliva C., Strodel P., Goldbeck-Wood G., Maiti A., Accelrys, UK

Several modelling techniques have been used to understand the interaction of NH3 with SWNTs. QM/MM calculations and Monte Carlo searches of the adsorbate-substrate configuration space have been performed. Defects and bundle effects have been considered [...]

Recent Applications of Mesoscale Modeling to Nanotechnology and Drug Delivery

Maiti A., Wescott J., Kung P., Goldbeck-Wood G., Accelrys Inc., US

Technologically important nanomaterials come in all shapes and sizes. They can range from small molecules to complex composites and mixtures. Depending upon the spatial dimensions of the system and properties under investigation, computer modeling of [...]