Showing 21 - 40 results of 1,858 for search '(( algorithm python function ) OR ( algorithms related function ))', query time: 0.39s Refine Results
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    State Function-Based Correction: A Simple and Efficient Free-Energy Correction Algorithm for Large-Scale Relative Binding Free-Energy Calculations by Runduo Liu (10756379)

    Published 2025
    “…We present an efficient and straightforward State Function-based Correction (SFC) algorithm, which leverages the state function property of free energy without requiring cycle identification. …”
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    Comparison of performance metrics of three algorithms. by Junjie He (700642)

    Published 2024
    Subjects: “…coverage attenuation function…”
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    Comparison of site selection results of three algorithms. by Junjie He (700642)

    Published 2024
    Subjects: “…coverage attenuation function…”
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    Means plots of genetic algorithm calibration parameters. by Junjie He (700642)

    Published 2024
    Subjects: “…coverage attenuation function…”
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    Efficient Algorithms for GPU Accelerated Evaluation of the DFT Exchange-Correlation Functional by Ryan Stocks (16867476)

    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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