New materials design

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

Research output: Chapter in Book/Report/Conference proceedingConference contribution


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.

Original languageEnglish (US)
Title of host publicationComputational Science - ICCS 2001 - International Conference, 2001, Proceedings
EditorsVassil N. Alexandrov, Jack J. Dongarra, Benjoe A. Juliano, René S. Renner, C.J. Kenneth Tan
Number of pages9
ISBN (Print)3540422323, 9783540422327
StatePublished - Jan 1 2001
EventInternational Conference on Computational Science, ICCS 2001 - San Francisco, United States
Duration: May 28 2001May 30 2001

Publication series

NameLecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
ISSN (Print)0302-9743
ISSN (Electronic)1611-3349


OtherInternational Conference on Computational Science, ICCS 2001
Country/TerritoryUnited States
CitySan Francisco

ASJC Scopus subject areas

  • Theoretical Computer Science
  • Computer Science(all)


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