Journal
ACTA MATERIALIA
Volume 48, Issue 1, Pages 71-92Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/S1359-6454(99)00288-8
Keywords
computational materials science; theory and modelling; electronic and magnetic structure
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An overview on methodology and leading-edge applications of atomistic computational materials science based on quantum mechanical concepts is presented. (C) 2000 Acta Metallurgica Inc. Published by Elsevier Science Ltd. All rights reserved.
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