Accession Number : ADA312007

Title :   Symposium Proceedings Materials Theory, Simulations, and Parallel Algorithms Held in Boston, Massachusetts on 27 November - 1 December 1995. Volume 408,

Corporate Author : MATERIALS RESEARCH SOCIETY UNIVERSITY PARK PA

Personal Author(s) : Kaxiras, Efthimios ; Joannopoulos, John ; Vashishta, Priya ; Kalia, Rajiv K.

PDF Url : ADA312007

Report Date : 1996

Pagination or Media Count : 604

Abstract : Significant advances have been made recently toward understanding the properties of materials through theoretical approaches. These approaches are based either on first-principles quantum mechanical formulations or semi-empirical formulations, and have benefitted from increases in computational power. The advent of parallel computing has propelled the theoretical approaches to a new level of realism in modeling physical systems of interest. The theoretical methods and simulation techniques that are currently under development are bound to become powerful tools in understanding, exploring and predicting the properties of existing and novel materials. The aim of this symposium was to bring together scientists from several subfields of materials theory and simulations. Its purpose was: to make contact with traditional continuum approaches to materials theory; to discuss critically current developments in computational and simulational approaches specifically aimed at addressing real materials problems, and with emphasis on parallel computing; and to present examples of the most successful applications of computational and simulational work to date.

Descriptors :   *COMPUTERIZED SIMULATION, *SYMPOSIA, *MATERIALS, *THEORY, ALGORITHMS, SIMULATION, METHODOLOGY, COMPUTATIONS, COMPUTER PROGRAMMING, PARALLEL PROCESSING.

Subject Categories : Miscellaneous Materials
      Computer Programming and Software

Distribution Statement : APPROVED FOR PUBLIC RELEASE