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
How to design a ROCI (Response Over Continuous Intervention) randomised trial: guidance and a case study. [PDF]
Quartagno M +10 more
europepmc +1 more source
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
Doubly Robust Estimation and Sensitivity Analysis With Outcomes Truncated by Death in Multi-Arm Clinical Trials. [PDF]
Tong J +4 more
europepmc +1 more source
A titania‐supported Co1/Ru single‐atom alloy catalyst enables efficient polypropylene hydrogenolysis. Ru─Co─Ru motifs maintain Ru activity while suppressing excessive chain scission to gaseous products. Both virgin and waste plastics achieve high, environmentally and economically optimal C11+ liquid yields, supporting sustainable chemical recycling ...
Yuzhen Ge +6 more
wiley +1 more source
Physics-Guided Multi-Task Learning for Small-Sample Soft Sensing: Simultaneous Prediction of Kappa Number and Viscosity in Continuous Kraft Pulping. [PDF]
Zhang B, Shi L, Zhang X, Xu M.
europepmc +1 more source
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
Time-Aware Graph Neural Network for Asynchronous Multi-Station Integrated Sensing and Communications Fusion in Open RAN. [PDF]
Shen Z, Shin W, Shin J.
europepmc +1 more source
Nocturnal Intraocular Pressure Monitoring With a Soft Contact Lens Sensor for Glaucoma Management
A soft contact lens sensor enables continuous, noninvasive monitoring of nocturnal intraocular pressure (IOP) under closed‐eye sleep conditions. By integrating a highly compliant inductive–capacitive circuit onto a commercial lens, the device achieves record sensitivity and stable performance.
Yumin Dai +19 more
wiley +1 more source
Psychometric properties and local normative references of PSC-17, RCADS-25, CATS-2, SNAP-IV, MCHAT-R/F, and CAST: data from a nationwide sample in Greece. [PDF]
Simioni A +20 more
europepmc +1 more source

