Results 261 to 270 of about 5,885,991 (322)

Effect of Atomic Charges on C2H2/CO2/CH4 Separation Performances of Covalent‐Organic Framework Adsorbents

open access: yesAdvanced Theory and Simulations, EarlyView.
Three charge assignment approaches (one quantum chemistry method‐based, the other two machine‐learning (ML) model‐based) are employed to investigate acetylene separation performances of experimental covalent‐organic frameworks. Partial Atomic Charge Predicter for Porous Materials based on Graph Convolutional Neural Network (PACMAN) ML model‐based ...
Hakan Demir, Ilknur Erucar
wiley   +1 more source

Semi-supervised learning by search of optimal target vector

open access: green, 2007
Leonardo Angelini   +3 more
openalex   +1 more source

Reinforcement Learning Approach to Advance Non‐Fullerene Acceptor‐Based Semi‐Transparent Organic Solar Cell

open access: yesAdvanced Theory and Simulations, EarlyView.
This study introduces a deep Q‐learning framework for semi‐transparent organic solar cells, combining AI and the Transfer Matrix Method to balance transparency/efficiency. Targeting PBDB‐T:ITIC‐based layers with asymmetric DMD contacts, the algorithm optimizes thickness/material properties, achieving 48.97% AVT and sustained photocurrent.
Erman Cokduygulular   +2 more
wiley   +1 more source

Substrate‐Restricted Asymmetric Evolution of Solid‐State Nanopores

open access: yesAdvanced Theory and Simulations, EarlyView.
Standalone nanopores can either expand or shrink based on the nucleation mechanism. A substrate‐restricted asymmetric pore dynamics are uncovered ‐ top expansion and bottom shrinkage, with minimum aperture reduced and forming a conical geometry, driven by molecular migration along an energy potential gradient within nanopores.
Hongshuai Liu   +4 more
wiley   +1 more source

Enhancing 3D dopamine transporter imaging as a biomarker for Parkinson's disease via self-supervised learning with diffusion models. [PDF]

open access: yesCell Rep Med
Won J   +13 more
europepmc   +1 more source

CRCFound: A Colorectal Cancer CT Image Foundation Model Based on Self‐Supervised Learning

open access: yesAdvanced Science, EarlyView.
CRCFound is a self‐supervised learning‐based CT image foundation model for colorectal cancer (CRC). Pretrained on 5137 unlabeled CRC CT images, it learns universal feature representations, enabling efficient adaptation to various clinical tasks. The model demonstrates outstanding performance and generalization across multiple diagnostic and prognosis ...
Jing Yang   +13 more
wiley   +1 more source

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