Showing 1 - 20 results of 13,154 for search '(( algorithm basis function ) OR ( algorithm using function ))', query time: 0.35s Refine Results
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    Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional by Ryan Stocks (16867476)

    Published 2025
    “…In contrast, for smaller and denser systems such as diamond nanoparticles, especially if employing large basis sets, algorithms that use the underlying molecular orbital coefficients offer superior performance, despite their higher formal scaling. …”
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    The structure of genetic algorithm (GA). by Ali Akbar Moosavi (17769033)

    Published 2024
    “…First, physico-chemical inputs as bulk density (BD), initial water content (W<sub>i</sub>), saturated water content (W<sub>s</sub>), mean weight diameter (MWD), and geometric mean diameter (GMD) of aggregates, pH, electrical conductivity (EC), and calcium carbonate equivalent (CCE) were measured. Then, radial basis functions (RBFNNs), multilayer perceptron (MLPNNs), hybrid genetic algorithm (GA-NNs), and particle swarm optimization (PSO-NNs) neural networks were utilized to develop PTFs and compared their accuracy with the traditional regression model (MLR) using statistical indices. …”
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    DMTD algorithm. by Yunhu Huang (21402795)

    Published 2025
    Subjects:
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    EFGs: A Complete and Accurate Implementation of Ertl’s Functional Group Detection Algorithm in RDKit by Gonzalo Colmenarejo (650249)

    Published 2025
    “…Functional groups are widely used in organic chemistry, because they provide a rationale to analyze physicochemical and reactivity properties. …”
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    Performance profiles of these algorithms on the basis of the number of function evaluations. by Xianfeng Ding (535904)

    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. by Mohsen Yoosefzadeh-Najafabadi (6917399)

    Published 2021
    “…<p>The schematic view of the Radial Basis Function (RBF) algorithm.</p>…”
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    The iteration curve of the test function. by Jian Kong (164512)

    Published 2024
    “…Then the optimization parameters and scope were determined, and multi-objective optimization and direction preference algorithms were introduced. A chaotic optical performance optimization model based on improved multi-objective genetic algorithm was constructed using adaptive functions as evaluation indicators. …”
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    Reverse Designing the Wavelength-Specific Thermally Activation Delayed Fluorescent Molecules Using a Genetic Algorithm Coupled with Cheap QM Methods by Xubin Wang (1861147)

    Published 2023
    “…A cheap QM method, i.e., INDO/CIS, on the basis of an xTB-optimized molecular geometry is applied to quickly calculate the fitness function. …”
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