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optimisation algorithm » optimization algorithms (Expand Search), maximization algorithm (Expand Search), identification algorithm (Expand Search)
process optimisation » process optimization (Expand Search), robust optimisation (Expand Search), process simulation (Expand Search)
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last global » left global (Expand Search), last glacial (Expand Search), first global (Expand Search)
optimisation algorithm » optimization algorithms (Expand Search), maximization algorithm (Expand Search), identification algorithm (Expand Search)
process optimisation » process optimization (Expand Search), robust optimisation (Expand Search), process simulation (Expand Search)
based process » based processes (Expand Search), based probes (Expand Search), based proteins (Expand Search)
binary based » library based (Expand Search), linac based (Expand Search), binary mask (Expand Search)
binary last » binary mask (Expand Search), binary plddt (Expand Search)
last global » left global (Expand Search), last glacial (Expand Search), first global (Expand Search)
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Unraveling Adsorbate-Induced Structural Evolution of Iron Carbide Nanoparticles
Published 2025“…For this purpose, we have developed a general procedure that we use to model an experimentally relevant 270-atom Fe<sub>182</sub>C<sub>88</sub> NP using the neural network-assisted stochastic surface walk global optimization algorithm (SSW-NN). Once generated, the Fe<sub>182</sub>C<sub>88</sub> NP active sites and particle morphology are thoroughly characterized before the effects of syngas adsorbate interactions are explored by using DFT and molecular dynamics simulations. …”
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Construction of reduced chemical mechanisms orientated toward specific applications: a case study of primary reference fuel
Published 2022“…And then, the genetic algorithm with binary variables is applied to further reduce the pathways of the small-molecule reactions targeted at ignition delay times in shock tubes, major species (fuel, O<sub>2</sub>, CO, and CO<sub>2</sub>) profiles in jet-stirred reactors, and laminar flame speeds, respectively. …”