Advancing the science of synthesis

NATURE COMPUTATIONAL SCIENCE（2023）

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摘要

Dr Valentino Cooper, a Distinguished R&D Staff Member at Oak Ridge National Laboratory, talks to Nature Computational Science about his research on density functional theory and on designing high-entropy materials and piezoelectrics.

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关键词

Computational methods,Density functional theory,Electronic structure,Ferroelectrics and multiferroics,Metals and alloys,Computer Science,general

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