Showing 1 - 20 results of 9,313 for search '(( algorithm basis function ) OR ( algorithm from function ))', query time: 0.36s Refine Results
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    Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional by Ryan Stocks (16867476)

    Published 2025
    “…We show that batched formation of the XC matrix from the density matrix yields the best performance for large (>O(103) basis functions), sparse systems such as glycine chains and water clusters. …”
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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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    DMTD algorithm. by Yunhu Huang (21402795)

    Published 2025
    “…On the basis of EITO<sub>E</sub>, we propose EITO<sub>P</sub> algorithm using the PPO algorithm to optimize multiple objectives by designing reinforcement learning strategies, rewards, and value functions. …”
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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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