Results 191 to 200 of about 8,484,227 (293)

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

Monkeypox Virus Countermeasures: Vaccines, Antibodies, Drugs and Traditional Chinese Medicine. [PDF]

Drug Des Devel Ther
Xu X, Nie Y, Zhang Y, Liu J.
europepmc   +1 more source

High‐Throughput Screening and Interpretable Machine Learning for Rational Design of Bimetallic Catalysts for Methane Activation

Advanced Science, EarlyView.
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan, Tian Zhang, Jiawei Dong, Yubao Xie, Kaifeng Zhong, Wei Guan, Haiqiao Wei, Changcheng Fu, Yaqiong Su   +8 more
wiley   +1 more source

Superatom Distortion Induces Triferroicity and Spin Splitting in Two‐Dimensional Antiferromagnets

Advanced Science, EarlyView.
The incorporation of superatoms into a 2D square lattice induces symmetry breaking, thereby enabling concurrent coupling among magnetism, ferroelectricity, and ferroelasticity. This strategy achieves triferroic behavior—characterized by spin‐split antiferromagnetic ground states—and offers a viable pathway toward energy‐efficient spintronic devices ...
Zhen Gao, Fengxian Ma, Guoping Gao, Weizhen Meng, Ying Liu, Yandong Ma, Yalong Jiao   +6 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

An Efficient Biological Codon Recognition Reservoir Computing System Based on Low‐Energy Epitaxial Hf0.52Zr0.48O2 Ferroelectric Memristors

Advanced Science, EarlyView.
This work reports on epitaxially grown Hf0.52Zr0.48O2 ferroelectric memristors with high stability (high durability exceeding 108 cycles and a retention time exceeding 104 s for 16 states) and ultra‐low operating energy consumption (∼121 fJ). A memristor array‐based reservoir computing system is constructed and applied for the first time in the field ...
Ying Liu, Jikang Xu, Yongqing Jia, Wenxuan Wang, Weifeng Zhang, Biao Yang, Xiaobing Yan   +6 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

Nanoscale Secondary Ion Mass Spectrometry for Quantifying Membrane Fouling: Fouling Layer Structure and Chemical Interaction

Advanced Science, EarlyView.
Nanoscale secondary ion mass spectrometry (Nano SIMS) is established as a powerful analytical tool to visualize and quantify the membrane fouling layers. ABSTRACT Membrane technology has garnered considerable attention for applications in wastewater treatment and resource recovery. Nevertheless, membrane fouling remains a major barrier, yet the lack of
Mengfei Wu, Xinhua Wang, Pin Zhao, Weilong Song, Ming Xie   +4 more
wiley   +1 more source

Retina‐Inspired Bi‐Based Terahertz Photonic Neuromorphic Devices

Advanced Science, EarlyView.
Combined with effective band alignment and substrate engineering, bismuth materials are introduced to form terahertz photonic bio‐inspired devices with picosecond short‐term plasticity to enable multi‐scene visual perception. Thus obtained hardware through the terahertz optical neural network (THz‐ONN) demonstrates high recognition accuracy, providing ...
Pujing Zhang, Donggang Xie, Longyu Shi, Mengyuan Wang, Huiwen Shi, Yu Wu, Menglei Li, Guangwei She, Peijie Wang, Wensheng Shi, Cunlin Zhang, Kuijuan Jin, Guozhen Yang, Qingli Zhou, Chen Ge   +14 more
wiley   +1 more source

In Situ Stress‐Dispersing Hydrogel Millispheres via Load Redistribution to Restore Nucleus Pulposus Metabolic Homeostasis

Advanced Science, EarlyView.
Local stress concentration disrupts metabolic homeostasis and induces inflammation in the nucleus pulposus (NP), thereby accelerating intervertebral disc degeneration (IDD). A biomimetic HA/ChS hydrogel millimeter sphere (ChS@HM) is developed to enable synergistic stress dispersion and sustained hydration lubrication.
Ang Li, Hui Yuan, Honglei Xiao, Xiaodong Liu, Wenguo Cui   +4 more
wiley   +1 more source