Results 181 to 190 of about 250,191 (314)

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

Advanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu, Longfei Lv, Fan Zhang, Si Zhou, Weiwei Gao, Jijun Zhao   +5 more
wiley   +1 more source

Ferroelectric Devices for In‐Memory and In‐Sensor Computing

Advanced Science, EarlyView.
Inspired by biological systems, in‐memory and in‐sensor computing overcome von Neumann bottlenecks. Ferroelectric devices can mimic synaptic functions and sense stimuli like light or force, therefore are ideal for these paradigms. This review introduces the ferroelectric devices applied for in‐memory and in‐sensor computing, covering their structures ...
Hong Fang, Ronghuan Xie, Qiang Cao, Shishen Yan, Xiaolin Wang, Limei Zheng   +5 more
wiley   +1 more source

Advances and Perspectives in Graphene‐Based Quantum Dots Enabled Neuromorphic Devices

Advanced Science, EarlyView.
Graphene‐based QDs are zero‐dimensional carbon nanomaterials with pronounced quantum confinement and tunable electronic structures. Herein, we summarize their synthesis strategies and functionalization methods, and highlight their functional roles and operating mechanisms in devices, as well as recent advances in neuromorphic electronics. We anticipate
Yulin Zhen, Wei Zeng, Zherui Zhao, JiYu Zhao, Ziyan Huang, Zhuo Chen, Kui Zhou, Guanglong Ding, Su‐Ting Han, Ye Zhou   +9 more
wiley   +1 more source

WS2 Optoelectronic Memristive Reservoir Enabling Ultra‐Low‐Power, Multi‐Task, and Environmentally Stable Neuromorphic Computing

Advanced Science, EarlyView.
WS2‐based in‐memory sensing reservoir computing integrates sensing, memory, and computation in one compact device. It achieves ∼94% N‐MNIST, ∼93% eye motion perception, and ∼89% speech recognition with ultra‐low energy (∼25.5 fJ/spike). The system shows stability at 95% humidity, endurance over 1.5M cycles, and supports synaptic plasticity, enabling ...
Dayanand Kumar, Hanrui Li, Divyanshu Divyanshu, Dhananjay D. Kumbhar, Manoj Kumar Rajbhar, Amit Singh, Abdul Momin Syed, Selma Amara, Gianluca Setti, Nazek El‐Atab   +9 more
wiley   +1 more source

Engineering Neuronal Network Connectivity Through Precise and Scalable Electrical Modulation

Advanced Science, EarlyView.
This study presents a scalable all‐electrical method for precise neuronal‐circuit reconfiguration based on high‐density microelectrode arrays. By employing biologically inspired plasticity rules, targeted connectivity changes were successfully induced and quantified across diverse neuronal preparations.
Sreedhar S. Kumar, Yannaël Bossard, Rachel Sava, Tobias Gänswein, Lorenca Sadiraj, Jean‐Samuel Dupré, Manuel Schröter, J. Gray Camp, Fernando Cardes, Julian Bartram, Andreas Hierlemann   +10 more
wiley   +1 more source

Physics‐Informed Machine Learning for Sustainable Alloy Design: Toward a Recyclable Unified Q&P Steel

Advanced Science, EarlyView.
A physics‐informed property‐bridging framework links high‐throughput hardness screening to tensile performance in quenching and partitioning steels. By transferring metallurgically guided representations across properties, a single alloy composition is designed to achieve multiple strength grades through heat‐treatment tuning alone, offering a ...
Xiaolu Wei, Yong Li, Chenchong Wang, Lingyu Wang, Xiang Song, Keming Mao, Yu Zhang, Wei Xu   +7 more
wiley   +1 more source

A Portable and Dual‐Button Microneedle Device Enables Intelligent Multimodal Laser Sensing

Advanced Science, EarlyView.
A portable and dual‐button microneedle device enables rapid interstitial fluid sampling. Coupled with multimodal laser sensing and AI‐assisted data processing, the platform enables simultaneous molecular and elemental analysis for minimally invasive and multiplexed health assessment toward point‐of‐care diagnostics.
Yuanchao Liu, Xiujuan Hu, Shengqun Shi, Bowen Li, Zhixing Ge, Yunchen Long, Chaochao Sun, Annan Chen, Bingbing Gao, Lianbo Guo, Condon Lau, Wei Luo, Chwee Teck Lim   +12 more
wiley   +1 more source

Decoding Spatial Heterogeneity and Multi‐Omics Regulation with Hierarchical Graph Learning

Advanced Science, EarlyView.
ABSTRACT Recent advances in spatial multi‐omics technologies have enabled the simultaneous profiling of multiple molecular layers within the same tissue slice, providing unprecedented opportunities to investigate tissue spatial organization. However, most existing computational methods identify spatial domains in a purely data‐driven manner, rarely ...
Jiazhou Chen, Jiahui Xie, Yi Liao, Junyu Li, Longqi Liu, Xin Gao, Hongmin Cai   +6 more
wiley   +1 more source

STAID: A Self‐Refining Deep Learning Framework for Spatial Cell‐Type Deconvolution with Biologically Informed Modeling

Advanced Science, EarlyView.
STAID is a unified deep learning framework that couples iterative pseudo‐spot refinement with neural network training through a feedback loop and exploits gene co‐expression information to model higher‐order interactions, achieving accurate and robust cell‐type deconvolution in spatial transcriptomics.
Jixin Liu, Shuli Sun, Zhengliang Lv, Xinyu Liu, Yihua Wang, Bingqiang Liu   +5 more
wiley   +1 more source

SchNet: A continuous-filter convolutional neural network for modeling quantum interactions [PDF]

, 2018
Deep learning has the potential to revolutionize quantum chemistry as it is ideally suited to learn representations for structured data and speed up the exploration of chemical space.
Chmiela, S., Tkatchenko, A., Schütt, K., Sauceda, H., Müller, K., Kindermans, P.   +5 more
core   +1 more source