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algorithm python » algorithms within (Expand Search), algorithm both (Expand Search)
within function » fibrin function (Expand Search), protein function (Expand Search), catenin function (Expand Search)
python function » protein function (Expand Search)
algorithm cost » algorithm co (Expand Search), algorithm could (Expand Search), algorithm cl (Expand Search)
cost function » test functions (Expand Search), cell function (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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