This work was supported by NSF contract ASC-9110793 and ONR contract N00014-93-1-0152. Intel Paragon and Cray C-90 time at the San Diego Supercomputer Center was provided by a UCSD School of Engineering Block Grant. Access to the IBM SP2 was provided by the Cornell Theory Center.
We would like to thank Greg Cook, Stephen Fink, Chris Myers, and Charles Rendleman for their useful suggestions on how to improve LPARX and the adaptive mesh software. We would also like to thank Eric Bylaska, Alan Edelman, Ryoichi Kawai, Beth Ong, and John Weare for numerous valuable discussions on numerical methods in materials design.