Results 241 to 250 of about 386,741 (313)

The Interoperability Challenge in DFT Workflows Across Implementations

open access: yesAdvanced Intelligent Discovery, EarlyView.
Interoperability and cross‐validation remain major challenges in the computational materials science. In this work, we introduce a common input/output standard that enables internal translation across multiple workflow managers—AiiDA, PerQueue, Pipeline Pilot, and SimStack—while producing results in a unified schema.
Simon K. Steensen   +13 more
wiley   +1 more source

Overcoming the Nyquist Limit in Molecular Hyperspectral Imaging by Reinforcement Learning

open access: yesAdvanced Intelligent Discovery, EarlyView.
Explorative spectral acquisition guide automatically selects informative spectral bands to optimize downstream tasks, outperforming full‐spectrum acquisition. The selected hyperspectral data are used for tasks such as unmixing and segmentation. BandOptiNet encodes selection states and outputs optimal bands to guide spectral acquisition. Recent advances
Xiaobin Tang   +4 more
wiley   +1 more source

Automated Bacterial Identification and Morphological Feature Analysis in Low‐Dose Cryo‐EM Using YOLOv11

open access: yesAdvanced Intelligent Discovery, EarlyView.
AI‐based tools enable rapid characterization of bacterial ultrastructure in low‐dose cryogenic transmission electron microscopy. The envelope thickness tool quantifies membrane thickness and anisotropy. The flagella module analyzes filament morphology and detects cell‐flagella contacts.
Sita Sirisha Madugula   +10 more
wiley   +1 more source

Autonomous X‐Ray Fluorescence Mapping for Nanoscale Chemical Speciation of Fine Particulate Matter

open access: yesAdvanced Intelligent Discovery, EarlyView.
We present X‐AutoMap, an autonomous X‐ray fluorescence mapping framework that integrates real‐time analysis with rule‐based computer vision to selectively target chemically relevant regions. By avoiding background‐dominated areas, the method reduces acquisition time by fourfold while enabling accurate particle‐level speciation.
Carlos Deleon   +3 more
wiley   +1 more source

Home - About - Disclaimer - Privacy