Looking for Design in Materials Design
M.E. Eberhart, D.P. Clougherty
TL;DR
This paper discusses the potential of quantum-scale structure-property relations to transform materials design from empirical to truly designed, leveraging advances in computation.
Contribution
It highlights the importance of developing quantum-scale structure-property relations to enable true materials design, moving beyond empirical approaches.
Findings
Quantum-scale structure-property relations are key to advanced materials design.
Computational methods are advancing towards true design capabilities.
Current approaches are still largely empirical and need development.
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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