Results 41 to 50 of about 10,726 (213)

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

The Role of Shape Commensurability in Chirality Transfer: Gold Nanoshape Solutes in a Discotic Nematic Liquid Crystal Solvent

open access: yesAngewandte Chemie, EarlyView.
We report on a suitable approach to predict the chirality “strength” and efficacy of chirality transfer from chiral nanoshape solutes to an achiral discotic nematic (ND) liquid crystal solvent. Highly efficacious chirality transfer based on shape commensurability between nanoshape solute (in the form of gold nanodiscs, GNDs) and a ND solvent was ...
Gourab Acharjee   +10 more
wiley   +2 more sources

AI‐Guided Co‐Optimization of Advanced Field‐Effect Transistors: Bridging Material, Device, and Fabrication Design

open access: yesAdvanced Intelligent Discovery, EarlyView.
This article outlines how artificial intelligence could reshape the design of next‐generation transistors as traditional scaling reaches its limits. It discusses emerging roles of machine learning across materials selection, device modeling, and fabrication processes, and highlights hierarchical reinforcement learning as a promising framework for ...
Shoubhanik Nath   +4 more
wiley   +1 more source

A Critical Assessment of Bonding Descriptors for Predicting Materials Properties

open access: yesAdvanced Intelligent Discovery, EarlyView.
The impact of new bonding descriptors in machine learning models for predicting material properties is assessed. Improvements are validated using significance tests, and new, intuitive descriptors for screening lattice thermal conductivity and projected force constants are introduced.
Aakash Ashok Naik   +6 more
wiley   +1 more source

Clinically Informed Intelligent Classification of Ovarian Cancer Cells by Label‐Free Holographic Imaging Flow Cytometry

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
Quantitative phase maps of single cells recorded in flow cytometry modality feed a hierarchical architecture of machine learning models for the label‐free identification of subtypes of ovarian cancer. The employment of a priori clinical information improves the classification performance, thus emulating the clinical application of liquid biopsy during ...
Daniele Pirone   +11 more
wiley   +1 more source

Interactive Prompt‐Guided Robotic Grasping for Arbitrary Objects Based on Promptable Segment Anything Model and Force‐Closure Analysis

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
A laser pointer‐guided robotic grasping method for arbitrary objects based on promptable segment anything model and force‐closure analysis is presented. Grasp generation methods based on force‐closure analysis can calculate the optimal grasps for objects through their appearances. However, the limited visual perception ability makes robots difficult to
Yan Liu   +5 more
wiley   +1 more source

A Comparative Analysis of Methods of Endmember Selection for Use in Subpixel Classification: A Convex Hull Approach. [PDF]

open access: yesComput Intell Neurosci, 2022
Sivakumar VL   +4 more
europepmc   +1 more source

SuperResNET: Model‐Free Single‐Molecule Network Analysis Software Achieves Molecular Resolution of Nup96

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 3, March 2025.
SuperResNET is a powerful integrated software that reconstructs network architecture and molecular distribution of subcellular structures from single molecule localization microscopy datasets. SuperResNET segments the nuclear pore complex and corners, extracts size, shape, and network features of all segmented nuclear pores and uses modularity analysis
Yahongyang Lydia Li   +6 more
wiley   +1 more source

Adversarial Erasing Enhanced Multiple Instance Learning (siMILe): Discriminative Identification of Oligomeric Protein Structures in Single Molecule Localization Microscopy

open access: yesAdvanced Intelligent Systems, EarlyView.
Hallgrimson et al. introduce a machine learning algorithm, siMILe, that takes features of single‐molecule localization microscopy localization clusters (e.g., size and sphericity) and finds the clusters that are associated with certain cell conditions (such as differential protein expression or drug treatment).
Christian Hallgrimson   +8 more
wiley   +1 more source

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