Results 131 to 140 of about 149,182 (235)

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

Human-Constrained AI-Assisted Identification of Defect-Topology Relations for Mechanical Degradation in Porous Solids: A Discrete-Element Study. [PDF]

Materials (Basel)
Zhang Y, Liu Y, Xie H.
europepmc   +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

Synergistic Steric Hindrance and Chlorination Enable Efficient Binary Organic Solar Cells with Low Energy Loss. [PDF]

Nat Commun
Zhang J, Sun K, Ran G, Zhu L, Chen Z, Wang Y, Zhang J, Yu L, Zhang G, Zhang W, Liu F, Yang C, Luo Z.   +12 more
europepmc   +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

Integrated NMR/MD investigation reveals differences after reweighting in conformational ensembles of the GAAG and GCAA tetraloops. [PDF]

RNA
Leopold D, Oxenfarth A, Thomasen FE, Kümmerer F, Schnieders R, Pinter G, Wacker A, Jonker HRA, Fürtig B, Richter C, Lindorff-Larsen K, Schwalbe H.   +11 more
europepmc   +1 more source

Multidimensional and Multifunctional Laser‐Induced Graphene (LIG) for Point‐of‐Care and Wearable Biosensing, Theranostics, and Bioactive Interfaces Toward Personalized Healthcare and Regenerative Medicine

Advanced Science, EarlyView.
Multidimensional laser‐induced graphene (LIG) spanning from 0D to 3D architectures is comprehensively reviewed for multifunctional biomedical platforms, including biosensing, theranostics, and bioactive interface applications, which highlights its potentials for point‐of‐care diagnostics, wearable health monitoring, smart drug delivery, and tissue ...
Li Zhang, Yurou Yuan, Xiaohong Ding, Wing Cheung Mak   +3 more
wiley   +1 more source

Pathway-dependent supramolecular polymerization by planarity breaking. [PDF]

Chem Sci
Veedu RM, Fernández Z, Bäumer N, Albers A, Fernández G.   +4 more
europepmc   +1 more source

Photonic‐Enabled Energy‐Efficient Transparent Neuromorphic Computing Devices: A Review

Advanced Science, EarlyView.
Transparent photonic neuromorphic computing devices merge optics and brain‐inspired computing to overcome von Neumann bottlenecks with ultrafast, low‐energy processing. By exploiting transparent oxides, 2D materials, phase‐change materials, and hybrid heterostructures, these platforms enable photonic synapses, memory, and logic for see‐through edge ...
Shuvaraj Ghosh, Ki‐bum Lee, Junghyeon Lee, Seunghee Cho, Malkeshkumar Patel, Hangfei Li, Yu Wen, Ye Zhou, Joondong Kim   +8 more
wiley   +1 more source

Elevated in-situ Vp/Vs preceding hydraulic-fracturing-induced earthquakes. [PDF]

Commun Earth Environ
Xu J, Liu Y, Li J, Roth MP, Harrington RM, He Y.   +5 more
europepmc   +1 more source