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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
tree functional » three functional (Expand Search), time functional (Expand Search), state functional (Expand Search)
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algorithm tree » algorithm pre (Expand Search), algorithm where (Expand Search), algorithm used (Expand Search)
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Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional
Published 2025“…Kohn–Sham density functional theory (KS-DFT) has become a cornerstone for studying the electronic structure of molecules and materials. …”
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