Results 201 to 210 of about 794,053 (259)
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley +1 more source
Nonparametric Assessment of the Calibration of Individualized Treatment Effects. [PDF]
Sadatsafavi M +3 more
europepmc +1 more source
We introduce a vision‐based real‐time monitoring system for additive manufacturing that detects subtle moisture‐induced degradation via a diffusion model‐based framework. The approach enables nondestructive assessment of moisture‐induced damage level and mechanical performance and establishes a practical route toward more intelligent, reliable, and ...
Jiyoung Jung +4 more
wiley +1 more source
A statistical physics framework for optimal learning. [PDF]
Mignacco F, Mori F.
europepmc +1 more source
Nanomaterials offer dual applications in allergy management. For diagnosis, nanomaterials enhance analytical sensitivity and improve detection in specific IgE and functional assays such as the basophil activation test (BAT). For allergen‐specific immunotherapy, nanomaterials enable allergen masking and controlled release, and effectively modulate the ...
Madiha Habib +8 more
wiley +1 more source
Empirically constrained order parameter dynamics in cardiovascular criticality: a synergetic Langevin framework for arrhythmic transitions with cross-cohort parameter estimation and Kramers escape-time validation. [PDF]
Okabe H.
europepmc +1 more source
Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai +3 more
wiley +1 more source
In sepsis‐induced liver injury, marked neutrophil infiltration correlates with disease severity. Neutrophil SLC11A1 drives intracellular Fe2+ and ROS via the Fenton reaction, promoting NETs formation. Hepatocyte‐derived CXCL10 recruits neutrophils and activates the JAK/STAT1/SLC11A1 axis, enhancing NETs‐mediated inflammation.
Haiping Lin +8 more
wiley +1 more source
An Entropy-Based Framework for Hybrid Coalitions in Game Theory-Part I: Human Arbitration. [PDF]
Sepúlveda-Fontaine SA, Amigó JM.
europepmc +1 more source
Operando gas diagnostics reveal a previously unrecognized chemical activation (CA) stage during thermal runaway in lithium‐ion batteries. A physics‐informed gas generation kinetics network (GGKNet) is developed to reconstruct reaction pathways and physical models automatically.
Jiabo Zhang +6 more
wiley +1 more source

