Looking for design in materials design

2004/10/01 by M. E. Eberhart, Mark E. Eberhart, Dennis P. Clougherty +1
Engineering · Materials Science · Physics and Astronomy · #Machine Learning in Materials Science #Molecular Junctions and Nanostructures #Surface Chemistry and Catalysis #cond-mat.mtrl-sci

paper · pdf · doi:10.1038/nmat1229

published as Nature Materials 3, 659 (2004) · 3 pages, 1 figure

openalex publication_date 2004/10/01 · arxiv created 2004/10/14 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

Despite great advances in computation, materials design is still science fiction. The construction of structure-property relations on the quantum scale will turn computational empiricism into true design.

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