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- W3048497553 abstract "Orbital-free approaches might offer a way to boost the applicability of density functional theory by orders of magnitude in system size. An important ingredient for this endeavor is the kinetic ene..." @default.
- W3048497553 created "2020-08-18" @default.
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- W3048497553 date "2020-08-10" @default.
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- W3048497553 title "Machine Learning Approaches toward Orbital-free Density Functional Theory: Simultaneous Training on the Kinetic Energy Density Functional and Its Functional Derivative" @default.
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- W3048497553 doi "https://doi.org/10.1021/acs.jctc.0c00580" @default.
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