Results 151 to 160 of about 1,533,853 (354)

A trust‐region funnel algorithm for gray‐box optimization

open access: yesAIChE Journal, EarlyView.
Abstract Gray‐box optimization, where parts of optimization problems are represented by algebraic models while others are treated as black‐box models lacking analytic derivatives, remains a challenge. Trust‐region (TR) methods provide a robust framework for gray‐box problems through local reduced models (RMs) for black‐box components, but they are ...
Gul Hameed   +4 more
wiley   +1 more source

Changes In Immunological Response In Wistar Rats That Ingested Water From High And Low Disease Prevalent Areas From The North Central Province (NCP) And Low Disease Prevalent Colombo, Sri Lanka And Their Co-Relations To Histopathological Changes. [PDF]

open access: green, 2021
M. G. Thammitiyagodage   +8 more
openalex   +1 more source

Performance of two transferred modules in the Lagunera Region: Water relations [PDF]

open access: yes
Water policy / Performance / Privatization / Irrigation systems / Operations / Maintenance / Irrigation efficiency / Water users' associations / Water rights / Water allocation / Water supply / Water ...
Galvan, A. C.   +4 more
core  

Topology‐Aware Machine Learning for High‐Throughput Screening of MOFs in C8 Aromatic Separation

open access: yesAdvanced Intelligent Discovery, EarlyView.
We screened 15,335 Computation‐Ready, Experimental Metal–Organic Frameworks (CoRE‐MOFs) using a topology‐aware machine learning (ML) model that integrates structural, chemical, pore‐size, and topological descriptors. Top‐performing MOFs exhibit aromatic‐enriched cavities and open metal sites that enable π–π and C–H···π interactions, serving as ...
Yu Li, Honglin Li, Jialu Li, Wan‐Lu Li
wiley   +1 more source

Machine Learning‐Assisted Second‐Order Perturbation Theory for Chemical Potential Correction Toward Hubbard U Determination

open access: yesAdvanced Intelligent Discovery, EarlyView.
In this work, the Doubao large language model (LLM) is involved in the formula derivation processes for Hubbard U determination regarding the second‐order perturbations of the chemical potential. The core ML tool is optimized for physical domain knowledge, which is not limited to parameter prediction but rather serves as an interactive physical theory ...
Mingzi Sun   +8 more
wiley   +1 more source

Molecule by Molecule Characterization of a Polymer Molecular Mass Distribution via Mass Photometry

open access: yesAngewandte Chemie, EarlyView.
Mass photometry (MP) was utilized to achieve label‐free, molecule‐by‐molecule measurement of the full polymer molecular mass distribution (MMD) of a synthetic polymer without the need for sample fractionation. The ability to elucidate the full MMD in minutes, as opposed to having only specific moments of the MMD acquired in hours via chromatography ...
Rachel Czerwinski   +5 more
wiley   +2 more sources

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