Results 141 to 150 of about 147,373 (312)

Transient water flow in the TOXSWA model (FOCUS) versions): concepts and mathematical description

open access: yes, 2009
The TOXSWA model is used in the pesticide registration procedures in the Netherlands and the EU. This report documents the transient water flow module of TOXSWA, which simulates variable discharges and water depths in the edge-of-field ponds, ditches and
Adriaanse, P.I., Beltman, W.H.J.
core  

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

Integrating water footprint and sefficiency: Overcoming water footprint criticisms and improving decision-making

open access: yesWater Alternatives, 2018
The Water Footprint Network (WFN) methodology has emerged as a major framework of/for policy analysis as water problems increase. Being addressed by a growing body of literature, water footprint (WF) accounting has advanced substantially in recent ...
Naim Haie   +2 more
doaj  

Autonomous AI‐Driven Design for Skin Product Formulations

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review presents a comprehensive closed‐loop framework for autonomous skin product formulation design. By integrating artificial intelligence‐driven experiment selection with automated multi‐tiered assays, the approach shifts development from trial‐and‐error to intelligent optimisation.
Yu Zhang   +5 more
wiley   +1 more source

Predicting and Rationalizing Piezoelectricity in Racemic Bioorganic Molecular Crystals

open access: yesAngewandte Chemie, EarlyView.
Racemic molecular crystals, composed of equal mixtures of chiral enantiomeric components, are predicted to exhibit significant piezoelectric responses and favourable mechanical flexibility. This study identifies organic and bioorganic racemates as promising candidates for sustainable, lead‐free materials, enabling next‐generation applications in energy
Shubham Vishnoi, Sarah Guerin
wiley   +2 more sources

Compact Modeling of Volatile‐Switching Electrochemical Metallization Memory Cells by Means of the Electromotive Force

open access: yesAdvanced Intelligent Systems, EarlyView.
A volatile‐switching compact model of electrochemical metallization memory cells for neuromorphic architecture is developed and validated by reliable reproduction of device characterization measurements: I−V sweeps, SET kinetics, relaxation dynamics.
Rana Walied Ahmad   +4 more
wiley   +1 more source

Unifying Scaling Relations and Multiple Reaction Mechanisms for Screening Transition Metal‐Doped Co3O4 for Oxygen Evolution Reaction

open access: yesAngewandte Chemie, EarlyView.
Doped Co3O4 climbs a mechanistic volcano: transition‐metal substitution reshapes the OER activity landscape, while multiple competing reaction mechanisms govern the volcano trends across different dopants. ABSTRACT Accelerating the discovery of oxygen‐evolution reaction (OER) catalysts requires high‐throughput screening strategies combining descriptor ...
Kapil Dhaka   +7 more
wiley   +2 more sources

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