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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
flow functional » low functional (Expand Search), follow functional (Expand Search), from functional (Expand Search)
python function » protein 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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Error cost analysis for the lowest cost fit.
Published 2022“…Algorithm was repeated until stopping criteria of 100 generations without change in lowest cost function value across the population was met and performed on single network.…”