بدائل البحث:
algorithm barrier » algorithm based (توسيع البحث)
algorithms using » algorithm using (توسيع البحث), algorithm used (توسيع البحث)
using function » using functional (توسيع البحث), sine function (توسيع البحث), waning function (توسيع البحث)
algorithm barrier » algorithm based (توسيع البحث)
algorithms using » algorithm using (توسيع البحث), algorithm used (توسيع البحث)
using function » using functional (توسيع البحث), sine function (توسيع البحث), waning function (توسيع البحث)
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Pt Cluster Catalysts and Alkane to Aromatic Conversion Evaluated Using a Combination of Swarm Intelligence and Density Functional Theory
منشور في 2025"…Here, we report density functional theory (DFT) calculations combined with a swarm intelligence algorithm to determine Pt positioning and interaction with the zeolite framework and detailed comparison of reaction pathways. …"
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Integral-Direct and Parallel Implementation of the CCSD(T) Method: Algorithmic Developments and Large-Scale Applications
منشور في 2019"…Consequently, high performance is also expected for systems appearing in extensive data sets used, e.g., for density functional or machine learning parametrizations, and in calculations required for certain reduced-cost or local approximations of CCSD(T), such as in our local natural orbital scheme [LNO-CCSD(T)]. …"
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Curves of sigmoid functions used in our proposed algorithm.
منشور في 2022"…<p>Curves of sigmoid functions used in our proposed algorithm.</p>…"
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A CONSTRUCTIVE GLOBAL CONVERGENCE OF THE MIXED BARRIER-PENALTY METHOD FOR MATHEMATICAL OPTIMIZATION PROBLEMS
منشور في 2021"…<div><p>ABSTRACT In this paper we develop a generic mixed bi-parametric barrier-penalty method based upon barrier and penalty generic algorithms for constrained nonlinear programming problems. …"
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The Blood–Brain Barrier (BBB) Score
منشور في 2019"…Initial evaluation of physicochemical property space using the BBB Score is a valuable addition to currently available drug design algorithms.…"
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The Blood–Brain Barrier (BBB) Score
منشور في 2019"…Initial evaluation of physicochemical property space using the BBB Score is a valuable addition to currently available drug design algorithms.…"
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The Blood–Brain Barrier (BBB) Score
منشور في 2019"…Initial evaluation of physicochemical property space using the BBB Score is a valuable addition to currently available drug design algorithms.…"
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DFTB Simulation of Charged Clusters Using Machine Learning Charge Inference
منشور في 2024الموضوعات: -
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