New Materials Design

Abstract

In this paper we report our recent results on the design of materials with controlled properties by the application of computational chemistry methods, new algorithms and scalable software.

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Document Details

Document Type
Technical Report
Publication Date
May 21, 2001
Accession Number
ADA410749

Entities

People

  • Gregory A. Voth
  • Jerry A. Boatz
  • Mark S. Gordon
  • Ruth Pachter
  • Sharon Hammes-Schiffer

Organizations

  • Air Force Research Laboratory

Tags

Communities of Interest

  • Energy and Power Technologies
  • Weapons Technologies

DTIC Thesaurus Topics

  • Air Force
  • Air Force Research Laboratories
  • Alkenes
  • Chemistry
  • Computational Chemistry
  • Computational Chemistry Methods
  • Computational Science
  • Density Functional Theory
  • Department Of Defense
  • Energy Bands
  • High Energy
  • Insensitive Explosives
  • Materials
  • Military Research
  • Molecular Dynamics
  • Simulations
  • Three Dimensional