Nanomaterials Theory Institute

The Nanomaterials Theory Institute (NTI) of the CNMS now is soliciting proposals from the community for candidate themes for Computational Nanoscience Focused User Laboratories (NanoFocULs). NanoFocULs provide a mechanism for bringing together CNMS users and world leaders in computational nanoscience with financial support from the NTI. 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 community-based design and virtual synthesis tools and exploit them in nanotechnology; and to support user-initiated experimental projects of the CNMS.

A NanoFocUL is intended to feature tutorial lectures by and informal exchanges with 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 National Center for Computational Sciences. Participants are strongly encouraged to continue these interactions while applying the methods and codes to nanoscience systems of their choice, by submitting a brief user research proposal to the CNMS.

Most NanoFocULs will run for a week, have 10-25 participants, and be held at ORNL. However, we are open to longer term NanoFocULs, larger numbers of participants, and other locations that may be particularly persuasive (such as in conjunction with a particularly relevant conference, if suitable hosting facilities exist, or jointly with similar organizations, such as theory institutes or centers). Proposals should be submitted using this template to one of the following scientific leaders of the NTI:

The Nanomaterials Theory Institute (NTI) is a component of the Center for Nanophase Materials Sciences (CNMS), a Department of Energy Nanoscale Science Research Center (NSRC) and user facility located at Oak Ridge National Laboratory (ORNL). The NTI goal is to perform virtual design and synthesis of new nanostructured materials and nanoscale systems using the full range of modeling tools, from electronic structure methods and atomistic simulation through to mesoscale methods and macroscale finite element techniques. The NTI supports both theory/simulation and experimental users of the CNMS, while developing some of the core methods of computational nanoscience (in particular, electron transport and multiscale modeling techniques). The NTI also is participating in developing the “instrumentation” for nanoscience that is part of the endstation concept of the National Center for Computational Sciences.