Ionic Materials: Computer Simulation Studies

Ahlborn Heather L, Tampa FL

Investigators

Abstract

An MPS Distinguished International Postdoctoral Research Fellowship (MPS-DRF) will be used to perform research with P. A. Madden and his group at Oxford University for a period of two years. The proposed research is molecular dynamics and polarizable MD simulations on ion materials. The following specific projects are proposed: (1) development of MD simulation techniques for highly polarizable systems, (2) development and refinement of transferable systems from first principle, and (3) study of ionic conduction and nuclear quadrupole coupling.