Results 211 to 220 of about 197,846 (331)

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

open access: yesAdvanced Science, EarlyView.
The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray   +3 more
wiley   +1 more source

Extreme Transverse Magnetoresistance in TiZn16

open access: yesAdvanced Electronic Materials, EarlyView.
Extreme magnetoresistance is observed in TiZn16, despite its metallic nature and a highly complex electronic structure with multiple electron and hole Fermi surfaces. High‐magnetic‐field measurements further revealed the presence of a cylindrical open orbit, which may help resolve the origin of the extreme magnetoresistance.
Aaron Chan   +11 more
wiley   +1 more source

Advances in Thermoelectric Thin Films Grown by Atomic Layer Deposition: A Critical Review of Performance and Challenges

open access: yesAdvanced Energy Materials, EarlyView.
This review highlights the use of atomic layer deposition (ALD) for fabricating thermoelectric thin films with atomic‐scale control. Four material classes—chalcogenides, doped oxides, ternary oxides, and multilayered structures—are compared in terms of growth dynamics, structure–property relationships, and thermoelectric performance. The precise tuning
Jorge Luis Vazquez‐Arce   +5 more
wiley   +1 more source

New magnetic topological materials from high-throughput search. [PDF]

open access: yesSci Adv
Robredo I   +7 more
europepmc   +1 more source

What to Make and How to Make It: Combining Machine Learning and Statistical Learning to Design New Materials

open access: yesAdvanced Intelligent Discovery, EarlyView.
Combining machine learning and probabilistic statistical learning is a powerful way to discover and design new materials. A variety of machine learning approaches can be used to identify promising candidates for target applications, and causal inference can help identify potential ways to make them a reality.
Jonathan Y. C. Ting, Amanda S. Barnard
wiley   +1 more source

A Machine Learning Perspective on the Brønsted–Evans–Polanyi Relation in Water‐Gas Shift Catalysis on MXenes

open access: yesAdvanced Intelligent Discovery, EarlyView.
Machine learning predicts activation energies for key steps in the water‐gas shift reaction on 92 MXenes. Random Forest is identified as the most accurate model. Reaction energy and reactant LogP emerge as key descriptors. The approach provides a predictive framework for catalyst design, grounded in density functional theory data and validated through ...
Kais Iben Nassar   +3 more
wiley   +1 more source

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