Results 271 to 280 of about 3,077,553 (314)

Bridging Theory and Experiment: Machine Learning Potential‐Driven Insights into pH‐Dependent CO₂ Reduction on Sn‐Based Catalysts

Advanced Functional Materials, EarlyView.
Machine learning potential (MLP) enables large‐scale molecular dynamics (MD) simulations, uncovering dynamic surface reconstruction of SnO₂ and SnS₂ under CO₂ reduction reaction condition. The negative dipole moments upon *OCHO adsorption are the primary factors driving the leftward shift of the volcano plot.
Yuhang Wang, Zelin Wu, Yingfang Jiang, Di Zhang, Qiang Wang, Congwei Wang, Huihui Li, Xue Jia, Jun Fan, Hao Li   +9 more
wiley   +1 more source

Comprehensive Mendelian randomization analysis of inflammatory networks in diabetic nephropathy and pituitary adenoma: unveiling complex causal relationships. [PDF]

Discov Oncol
Fu Y, Chen Y.
europepmc   +1 more source

The Influence of Annealing on the Sb Layer in the Synthesis of [001]‐Oriented Sb2Se3 Film for Photoelectrochemical Hydrogen Gas Generation

Advanced Functional Materials, EarlyView.
[001]‐oriented Sb2Se3 film with improved crystallinity and adjusted composition is achieved via a new thermal treatment approach consisting of preliminary annealing of the Sb layer before its selenization. The findings of this work demonstrate enhanced charge carriers' transportation, a stable performance, and an improvement of H2 generation from ...
Magno B. Costa, Moisés A. de Araújo, Joaquim Puigdollers, Pablo Ortega, Teresa Andreu, Cristobal Voz, Edgardo Saucedo, Lucia H. Mascaro   +7 more
wiley   +1 more source

Revisiting the inverse Abel integral for reconstructing velocity-map images.

Phys Chem Chem Phys
Sparling C, Onvlee J.
europepmc   +1 more source

AlphaFold distillation for inverse protein design. [PDF]

Sci Rep
Melnyk I, Lozano A, Das P, Chenthamarakshan V.   +3 more
europepmc   +1 more source

Accelerated Discovery of High‐Performance PCFC Cathodes: Computational‐Experimental Optimization of Cobalt‐Substituted Ba0.95La0.05FeO3‐δ

Advanced Functional Materials, EarlyView.
An integrated computational–experimental strategy accelerates the discovery of high‐performance PCFC cathodes. Computational screening using machine learning interatomic potentials and targeted experiments identifies optimal cobalt substitution in Ba0.95La0.05FeO3‐δ, reducing area‐specific resistance by 58% at 500 °C.
Abdullah Tahir, Yuhao Wang, Jingwei Li, Yunfeng Tian, Francesco Ciucci   +4 more
wiley   +1 more source

Doubly Robust Estimation of Marginal Cumulative Incidence Curves for Competing Risk Analysis. [PDF]

Stat Med
van Hage P, le Cessie S, van Maaren MC, Putter H, van Geloven N.   +4 more
europepmc   +1 more source

Near‐Field Optical Detection of Defect‐Stabilized Metallic Islands at the Verwey Transition in Fe3O4

Advanced Functional Materials, EarlyView.
Nanoscale metallic islands emerging across the Verwey transition in thin films of Fe3O4 are imaged using near‐field optical microscopy from mid‐infrared to terahertz frequencies. Recurring across thermal cycles, these disorder‐stabilized islands exhibit distinct transition temperatures.
Kajal Tiwari, Mostafa Ibrahim Shehata Marzouk, Ke Xiao, Malleswararao Tangi, Stuart Stephen Papworth Parkin   +4 more
wiley   +1 more source

Research on equipment fault diagnosis model based on gan and inverse PINN: Solutions for data imbalance and rare faults. [PDF]

PLoS One
Deng J, Cheng Z, Gu A, Zhang S.
europepmc   +1 more source