Showing 121 - 140 results of 1,168 for search '(( algorithm python function ) OR ((( algorithm basis function ) OR ( algorithm fc function ))))', query time: 0.62s Refine Results
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    Schematic diagram of the experimental algorithm. by Ronghua Meng (20978441)

    Published 2025
    “…Finite element and fatigue analyses are carried out for the key parameters of the structure, and deformation, fatigue and other data that appear in the actual operation process are obtained. On the basis of stable egg carrying, a carrying motion mathematical model is established, and the genetic algorithm (GA) is chosen to optimize the structural parameters. …”
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    Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications by P. Bernát Szabó (10526316)

    Published 2023
    “…This enables the accurate modeling of large systems with complex electronic structures, as illustrated on open-shell organic radicals and transition-metal complexes of up to 179 atoms as well as on challenging biochemical systems, including up to 601 atoms and 11,000 basis functions. While the protein models involve difficulties for local approximations, such as the spin states of a bounded iron ion or an extremely delocalized singly occupied orbital, the corresponding single-node LNO-CCSD­(T) computations were feasible in a matter of days with 10s to 100 GB of memory use. …”
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