SciPy Proceedings

Quantum Chemistry Acceleration: Comparative Performance Analysis of Modern DFT Implementations

This paper presents a comprehensive performance analysis of modern Density Functional Theory (DFT) implementations. We compare computational efficiency and accuracy across various quantum chemistry software packages.

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COMPLETED

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DRAFT

Timestamp

Aug 07, 2025 08:48:40

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scipy-2025-kyohei_sahara

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github.com/scipy-conference/scipy_proceedings

papers/kyohei_sahara

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019883b7-ceb7-77ad-9799-319a90bfca13

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