Results 201 to 210 of about 2,800,842 (301)

Computational Simulations of Metal–Organic Frameworks to Enhance Adsorption Applications

open access: yesAdvanced Materials, EarlyView.
This review highlights the significance of molecular simulations in expanding the understanding of metal–organic frameworks (MOFs) and improving their gas adsorption applications. The historical development and implementation of molecular simulations in the MOF field are given, high‐throughput computational screening studies used to unlock the ...
Hilal Daglar   +3 more
wiley   +1 more source

Computational Modeling of Reticular Materials: The Past, the Present, and the Future

open access: yesAdvanced Materials, EarlyView.
Reticular materials are advanced materials with applications in emerging technologies. A thorough understanding of material properties at operating conditions is critical to accelerate the deployment at an industrial scale. Herein, the status of computational modeling of reticular materials is reviewed, supplemented with topical examples highlighting ...
Wim Temmerman   +3 more
wiley   +1 more source

ON THE NATURE OF LANGUAGE [PDF]

open access: yesAnnals of the New York Academy of Sciences, 1976
openaire   +2 more sources

SciAgents: Automating Scientific Discovery Through Bioinspired Multi‐Agent Intelligent Graph Reasoning

open access: yesAdvanced Materials, EarlyView.
The SciAgents AI model drives hypothesis generation by harnessing multi‐agent graph reasoning, extracting insights from knowledge graphs constructed from scientific papers. Each agent plays a specific role: the Ontologist defines concepts, the Scientists draft and refine proposals, and the Critic reviews.
Alireza Ghafarollahi, Markus J. Buehler
wiley   +1 more source

The Structure‐Mechanics Relationship of Bamboo‐Epidermis and Inspired Composite Design by Artificial Intelligence

open access: yesAdvanced Materials, EarlyView.
This article investigates the micromechanics of bamboo epidermis, focusing on how anisotropic silica particle distributions enhance toughness. By integrating experimental imaging, 3D printing, and generative AI, the study develops bio‐inspired particle‐reinforced composites with mechanical properties akin to bamboo.
Zhao Qin, Aymeric Pierre Destree
wiley   +1 more source

Recent Advances in Wide‐Bandgap Perovskite Solar Cells

open access: yesAdvanced Materials, EarlyView.
Ubiquitous defects predominately account for photo‐instability and open‐circuit voltage losses in wide‐bandgap perovskite solar cells (WBG PSCs). This review comprehensively presents the underlying impact mechanisms, summarizes the advanced optimization strategies across various functional layers and their interfaces to develop efficient and stable WBG
Jianjun Mei, Feng Yan
wiley   +1 more source

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