Results 151 to 160 of about 23,653 (255)

Generalization in quantum machine learning from few training data. [PDF]

open access: yesNat Commun, 2022
Caro MC   +6 more
europepmc   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

open access: yesAdvanced Science, EarlyView.
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

BIGDML-Towards accurate quantum machine learning force fields for materials. [PDF]

open access: yesNat Commun, 2022
Sauceda HE   +5 more
europepmc   +1 more source

Interfacial Control in Cu–MXene Hybrids Enables Selective NOx‐to‐NH3 Electroconversion: A Critical Review

open access: yesAdvanced Science, EarlyView.
Cu‐MXene interfacial catalysts provide a promising platform for electrochemical NOx upcycling to ammonia. The synergy between Cu active sites and conductive, surface‐tunable MXene supports promotes NOx adsorption, intermediate stabilization, and selective NH3 formation while suppressing competing hydrogen evolution, offering a route toward sustainable ...
Hafiz Muhammad Adeel Sharif   +5 more
wiley   +1 more source

Non‐Noble Metal Nanocatalysts for Hydrogen Evolution

open access: yesAdvanced Science, EarlyView.
Recent overviews and latest developments of diverse classes of non‐noble catalysts for application toward high‐performance photocatalysis, thermocatalytic steam reforming, and electrocatalysis. Toward sustainability objectives, several advanced characterization tools in combination with the latest breakthroughs in machine learning for material ...
Lina Jaya Diguna   +7 more
wiley   +1 more source

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