周年纪念日 发表于 2025-3-23 11:29:06
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Christoph Waldhauser,Ronald Hochreiter,Johannes Otepka,Norbert Pfeifer,Sajid Ghuffar,Karolina Korzenth respect to the free molecule. The HOMO of diazirine is the most perturbed orbital upon adsorption. The NN and CN bond orders are almost unchanged but the atomic charges change significantly for this orbital. Although the LUMO level (pure NN-π* orbital) is stabilized upon adsorption, this orbitalrefraction 发表于 2025-3-23 21:39:47
Abhishek Awasthi,Jörg Lässig,Oliver Kramertinguish the facial isomer from the meridianal isomer. Indications have been obtained about the excited state kinetics of the more studied meridianal Alq.. The evaluation of the reaction surface of the isolated Alq. allowed the determination of its monomolecolar isomerization paths and their energetcravat 发表于 2025-3-24 02:04:58
Keith Worden,Graeme Manson,Elizabeth J. Crosscrolevel. These stochastic terms are persistent even at asymptotically stable macrostates and at any value of the external parameters. A common general property of the stochastic terms is that their amplitude is bounded. . the restriction over the amplitude is scaling invariant with respect to timeAbbreviate 发表于 2025-3-24 04:54:51
Surrogate-Based and One-Shot Optimization Methods for PDE-Constrained Problems with an Application n the Surrogate-based Optimization method, the original model is replaced by a surrogate which is here based on a truncated iteration with fewer steps. We compare both approaches, provide implementation details for the presented application, and give some numerical results.Notorious 发表于 2025-3-24 08:49:17
Shape-Preserving Response Prediction for Surrogate Modeling and Engineering Design Optimization,alleviating these difficulties. SBO allows for reducing the number of expensive objective function evaluations in a simulation-driven design process. This is obtained by replacing the direct optimization of the expensive model by iterative updating and re-optimization of its cheap surrogate model. AEVICT 发表于 2025-3-24 14:16:38
Nested Space Mapping Technique for Design and Optimization of Complex Microwave Structures with Enhormance of traditional surrogate-based optimization routines applied to the design problem of computationally expensive microwave/RF structures with modular topology. The proposed technique is used to design three exemplary microwave/RF circuits with enhanced functionality: two abbreviated microstricinder 发表于 2025-3-24 18:39:07
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