Role of atomic level simulation in development of batteries

Unlike modeling at other levels as described in this workshop, the role of modeling at the atomic level has its main usefulness in the selection and design of materials for high performance batteries. We describe recent progress in studies of transport mechanisms of lithium in polymer electrolytes which suggest new approaches to the search for electrolytes with higher conductivity. (C) 2002 Elsevier Science B.V. All rights reserved.