Results 211 to 220 of about 924,604 (294)

Enhancing molecular property prediction of transformer models with dual graph representation. [PDF]

Nat Commun
Zhang S, Lapkin AA.
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

The Newton-X platform for mixed quantum-classical dynamics.

Phys Chem Chem Phys
Barbatti M, Mattos RS, Demoulin B, de O Bispo M, Bondanza M, Brady M, Crespo-Otero R, de Miranda EGF, Dral PO, Granucci G, Hehn A, Hernández FJ, Iuzzolino G, Kar R, Kossoski F, Lischka H, Mennucci B, Mukherjee S, Mukhopadhyay A, Perrella F, Persico M, Pinheiro M, Pittner J, Plasser F, Rega N, Sangiogo-Gil E, Thorat T, Toldo JM, Tomaz AA, Varella MTDN, Vasquez L.   +30 more
europepmc   +1 more source

The Hazardous NEOs of the Future: Long-term Predictions under Uncertainty. [PDF]

J Astronaut Sci
Fuentes-Muñoz O, Farnocchia D, Chesley SR, Park RS.   +3 more
europepmc   +1 more source

Interlayer‐Sliding‐Enabled Multiferroicity and Giant Switchable Anomalous Hall Conductivity in RuO2Zn2F2 Bilayer

Advanced Science, EarlyView.
Interlayer sliding in the RuO2Zn2F2 bilayer induces ferroelectricity and enables reversible valley polarization switching. The electric dipole and valley‐resolved band edges are intimately coupled, revealing sliding ferroelectricity as a powerful mechanism for electrical control of valley degrees of freedom in 2D materials.
Djamel Bezzerga, Imran Khan, Ganie Suhail Ahmad, Jisang Hong   +3 more
wiley   +1 more source

Chemical bonding concepts emerge naturally from maximally entangled atomic orbitals. [PDF]

Nat Commun
Ding L, Matito E, Schilling C.
europepmc   +1 more source

Simultaneous Wastewater‐to‐Hydrogen Upgrading via Mechanically Driven Piezocatalysis Over Ag‐ZnO Nanorods

Advanced Science, EarlyView.
A piezocatalytic strategy enables simultaneous wastewater purification and hydrogen generation by harnessing mechanical energy. Complementary piezo‐induced charges are selectively directed toward oxidation and reduction pathways, achieving efficient pollutant degradation and continuous H2 evolution.
Yiqing Wei, Jianghai Huang, Yejunchi Zhang, Yang Wang, Dongmei Li, Chaogang Ban, Peng Yu, Jiangping Ma, Zhenxiang Cheng   +8 more
wiley   +1 more source

A 4-methyl-substituted durlobactam analogue as a potential class-D oxacillinase inhibitor in <i>Acinetobacter baumannii-</i>an <i>in silico</i> study. [PDF]

Front Bioinform
George EA, Naha A, Ramaiah S.
europepmc   +1 more source