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Automation in DFT-based computational materials science

George, J

George, J (corresponding author), BAM Fed Inst Mat Res & Testing, Unter Eichen 87, D-12205 Berlin, Germany.; George, J (corresponding author), Friedrich Schiller Univ Jena, Inst Condensed Matter Theory & Solid State Opt, Max Wien Pl 1, D-07743 Jena, Germany.

TRENDS IN CHEMISTRY, 2021; 3 (9): 697

Abstract

Automation simplifies the use of computational materials science software and makes it accessible to a wide range of users. This enables high-throughp......

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