Results 141 to 150 of about 16,490 (305)

Benefits of Categorizing Noncovalent Bonds Based on Hydrogen, Halogen, Chalcogen, and Pnictogen Bonds

open access: yesAngewandte Chemie, EarlyView.
A terminology for electrophile‐nucleophile interactions based on names that refer to the electrophile group/atom may offer the advantage to be descriptive, consistent, complete, systematic, clear, and, most important, invariant. Likely, a terminology that employs only the terms σ‐hole bond, π‐hole bond, and p‐hole bond may not.
Andrea Pizzi   +5 more
wiley   +2 more sources

Bayesian Optimisation for the Experimental Sciences: A Practical Guide to Data‐Efficient Optimisation of Laboratory Workflows

open access: yesAdvanced Intelligent Systems, EarlyView.
This study provides an introduction to Bayesian optimisation targeted for experimentalists. It explains core concepts, surrogate modelling, and acquisition strategies, and addresses common real‐world challenges such as noise, constraints, mixed variables, scalability, and automation.
Chuan He   +2 more
wiley   +1 more source

Artificial Intelligence for Multiscale Modeling in Solid‐State Physics and Chemistry: A Comprehensive Review

open access: yesAdvanced Intelligent Systems, EarlyView.
This review explores the transformative impact of artificial intelligence on multiscale modeling in materials research. It highlights advancements such as machine learning force fields and graph neural networks, which enhance predictive capabilities while reducing computational costs in various applications.
Artem Maevskiy   +2 more
wiley   +1 more source

ResearchConnect: An AI‐Powered Platform for Interdisciplinary Research Team Formation and Ideation Development

open access: yesAdvanced Intelligent Systems, EarlyView.
ResearchConnect is an AI‐powered platform that automates researcher profiling, interdisciplinary team formation, and early‐stage research ideation. By extracting keywords from papers and web sources, it quickly clusters researchers into coherent teams and generates collaborative ideas using large language models. Validation on NSF‐funded projects shows
Akshay Vilas Jadhav   +2 more
wiley   +1 more source

Inverse-designed gyrotropic scatterers for non-reciprocal analog computing. [PDF]

open access: yesNanophotonics
Hadjiantoni N   +4 more
europepmc   +1 more source

Deformable Attention Multiscale Feature Fusion Network‐Dehaze: An Adaptive Image Dehazing Method Based on Deformable Attention Multiscale Fusion Network

open access: yesAdvanced Intelligent Systems, EarlyView.
This paper presents the deformable attention multiscale feature fusion network‐dehaze adaptive image dehazing network, which integrates three core modules (revised residual shrinkage unit, multiscale attention, cross‐scale feature fusion). It incorporates deformable convolution and multiscale attention mechanisms to address the detail loss issue of ...
Ruipeng Wang   +4 more
wiley   +1 more source

A Universal Approach to Mie Scatter Correction in FTIR Analysis of Microsized Samples. [PDF]

open access: yesACS Omega
Blazhko U   +5 more
europepmc   +1 more source

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