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algorithm basis » algorithm based (Expand Search), algorithms based (Expand Search), algorithm ai (Expand Search)
basis function » loss function (Expand Search), brain function (Expand Search), barrier function (Expand Search)
algorithm both » algorithm blood (Expand Search), algorithm b (Expand Search), algorithm etc (Expand Search)
both function » body function (Expand Search), growth function (Expand Search), beach function (Expand Search)
algorithm fc » algorithm etc (Expand Search), algorithm pca (Expand Search), algorithms mc (Expand Search)
fc function » _ function (Expand Search), a function (Expand Search), 1 function (Expand Search)
algorithm basis » algorithm based (Expand Search), algorithms based (Expand Search), algorithm ai (Expand Search)
basis function » loss function (Expand Search), brain function (Expand Search), barrier function (Expand Search)
algorithm both » algorithm blood (Expand Search), algorithm b (Expand Search), algorithm etc (Expand Search)
both function » body function (Expand Search), growth function (Expand Search), beach function (Expand Search)
algorithm fc » algorithm etc (Expand Search), algorithm pca (Expand Search), algorithms mc (Expand Search)
fc function » _ function (Expand Search), a function (Expand Search), 1 function (Expand Search)
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Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional
Published 2025“…In this work, we present a comparative study of four GPU-accelerated algorithms for evaluating the KS-DFT exchange–correlation (XC) potential with an atom-centered Gaussian basis. …”
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A Genetic Algorithm Approach for Compact Wave Function Representations in Spin-Adapted Bases
Published 2025Subjects: -
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Performance profiles of these algorithms on the basis of the number of function evaluations.
Published 2021“…<p>Performance profiles of these algorithms on the basis of the number of function evaluations.…”
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The schematic view of the Radial Basis Function (RBF) algorithm.
Published 2021“…<p>The schematic view of the Radial Basis Function (RBF) algorithm.</p>…”
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EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit
Published 2025“…Ertl’s algorithm is an approach to extract functional groups in arbitrary organic molecules that does not depend on predefined libraries of functional groups. …”
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