This is a video produced by Nvidia to showcase the application of GPGPUs for coarse grain molecular dynamics research in the Klein group. For more details, please see the related press release from Nvidia, and the research pages describing our work on coarse grain models and GPGPU programming elsewhere on this server.

This video shows the spontaneous self-assembly of dendrimeric surfactant molecules in water studied with coarse grain molecular dynamics. The specific molecule shown in this example was designed to self-assemble fast and produce very stable bilayers.

This video shows the self-assembly of octa-(ethyleneglycol)-docecylether, the non-ionic surfactant, in water from an initial random configuration into a regular structure of spherical micelles by coarse grain molecular dynamics. These polyetheleneglycol (PEG) surfactants can be used in household products like detergents, but also to help crystallize membrane proteins for X-ray structure analysis, and to form liposomes for drug delivery

This video shows the self-assembly of a DNA carbon nanotube hybrid.