Computational Nanoscience Focused User Laboratories (NanoFocULs)
and Related Research

The Nanomaterials Theory Institute (NTI) of CNMS initiated an international Theoretical and Computational Nanoscience Workshops series in August 2003, and Computational Nanoscience Focused User Laboratories (NanoFocULs) in August 2004, to bring together CNMS users and world leaders in computational nanoscience. The purpose of the NanoFocULs is to stimulate the advancement of theory and computational methodologies that are needed to understand nanoscale materials and phenomena; to develop new design and virtual synthesis tools and exploit them in nanotechnology; and to support user-initiated experimental projects of the CNMS. This will be accomplished through this continuing series of initially tutorial-style meetings that lead into ongoing collaborative user research in areas relevant to the CNMS. The NanoFocULs feature tutorial lectures by international leaders in theory and computational methods, combined with significant opportunities for hands-on experience using the latest state-of-the-art codes and methods. Access is provided to the computational facilities of the ORNL Center for Computational Sciences.

There are strong scientific synergies of theory, modeling, and nanomaterials design with the synthesis and characterization activities in the first two research areas, focused on polymers and biologically-derived or -inspired systems and on carbon nanotubes and related structures. Therefore, collaborative research proposals are solicited which will further develop the nanoscale theory/modeling/simulation methods that were the subjects of the two recent NTI NanoFocULs in connection with these two synthesis and characterization research areas. Prospective PIs should contact one of the staff members listed below prior to submitting a proposal in order to identify an appropriate collaborator at ORNL and to define the computational resources that could be provided under a CNMS user proposal.

The NTI also is soliciting suggestions from the community for candidate themes for NanoFocULs to be held in 2005 with financial support from the NTI. Proposed NanoFocULs should be structured to disseminate new theories and methods, instruct junior and senior researchers in their use, and support new research by participating CNMS users. Opportunities for “hands on” learning within the NanoFocUL should be identified. Suggestions for future NanoFocULs that promote these and other goals of the NTI should be forwarded informally to one of the staff members identified below.

ORNL Scientific Staff