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
When school engagement rhymes with roots breach. Adolescents and school avoidance in transcultural situations. [PDF]
Rizzi AT, Moro MR, Radjack R.
europepmc +1 more source
Multiferroic order parameters – polarization, magnetization, and ferroelastic strain – are positioned as dynamic design variables for batteries. Their mechanistic roles, practical tuning through fabrication and external fields, and ferroic‐resolved characterization routes are unified into a closed‐loop framework, revealing how coupled ferroic responses
Jiaqi Su +13 more
wiley +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
Right heart catheterization blended training program: quality improvement and educational outcomes. [PDF]
Farmer MJS, Asghar A.
europepmc +1 more source
A pneumatically actuated multi‐tissue microphysiological system is integrated with AI‐based machine vision and automatic sampling and replenishment systems. The platform allows for the emulation of translationally relevant long‐term pharmacokinetic exposure scenarios for multiple weeks while enabling longitudinal monitoring of response biomarkers ...
Jibbe Keulen +15 more
wiley +1 more source
Correction to "Social emotional learning and autonomic regulation enhance social connectedness in female adolescents with extensive exposure to adverse childhood experiences". [PDF]
europepmc +1 more source
Reaching Frontline Providers With Updated HIV Clinical Guidance at Scale Under Declining Training Support: WhatsApp Microlearning During Rollout of 6-Monthly ART Dispensing in South Africa. [PDF]
Chisholm B, Wilkinson L.
europepmc +1 more source
Halide Perovskite: A Rich Source of Thermal Insulator
Halide perovskites exhibit ultralow thermal conductivity driven by intrinsic lattice softness and strong anharmonicity, falling below conventional defect‐engineering limits. Weak metavalent bonding, A‐site rattling, and dynamic octahedral tilting drive phonon scattering to the Ioffe–Regel limit, where wave‐like tunneling replaces particle‐like ...
Haolin Ye +3 more
wiley +1 more source

