Computational and Theoretical Nanoscience: Methods and Applications
Theory, modeling and simulation (TMS) tools constitute key enabling
technologies for making fundamental advances in nanoscience and for
making nanotechnology a practical reality. Many of the problems encountered
in this field are inherently multiscale modeling. In this talk, we provide
an overview of the role of TMS in nanoscience, as well as an overview
of our multiscale TMS research in nanotribology, molecular electronics,
and hybrid organic-inorganic nanocomposites.
Peter Cummings,
Oak Ridge National Laboratory and Vanderbilt University