Results 191 to 200 of about 678 (218)

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

open access: yesAdvanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano   +5 more
wiley   +1 more source

Deep Learning Inverse Design of Phase‐Change Reconfigurable Terahertz Metadevices for Multidimensional Secure Communication

open access: yesAdvanced Materials, EarlyView.
A deep learning inverse‐design framework is established to create versatile reconfigurable terahertz metadevices. By synergizing deep learning with phase‐change materials, this approach enables on‐demand customization of multidimensional electromagnetic responses.
Yisheng Dong   +11 more
wiley   +1 more source

Ketone ester-enriched diet ameliorates motor and dopamine release deficits in MitoPark mice. [PDF]

open access: yesEur J Neurosci
Mahajan VR   +7 more
europepmc   +1 more source

Linker‐Engineered Dimeric Acceptors Afford Efficient Organic Photocatalytic Hydrogen Evolution via Tailored Nanomorphology for Long‐Lived Charge Accumulation

open access: yesAdvanced Materials, EarlyView.
We developed a new series of monomeric (MY) and dimeric acceptors incorporating unfused (DY1) and fused (DY2) linkers, which establish a controlled self‐aggregation trend of MY > DY2 > DY1. The DY2‐based system yields a bulk‐heterojunction nanoparticle morphology that appears to balance phase separation and interfacial accessibility, consistent with ...
Jin‐Woo Lee   +11 more
wiley   +1 more source
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