83 datasets found

This proposal continues our studies of surfactant micelles using NIMROD, to obtain previously inaccessible details of headgroup-ion interactions. In our previous experiments...

Using computers to design molecules is a methodology widely adopted in drug discovery to identify targets for synthesis. As molecules increase in size, more computing power is...

Carbon materials with nanopore structures are of great importance for development of energy storage and gas adsorption devices. The critical parameter is pore size and it is...