Results 161 to 170 of about 1,360,403 (285)

A Comprehensive Assessment and Benchmark Study of Large Atomistic Foundation Models for Phonons

open access: yesAdvanced Intelligent Discovery, EarlyView.
We benchmark six large atomistic foundation models on 2429 crystalline materials for phonon transport properties. The rapid development of universal machine learning potentials (uMLPs) has enabled efficient, accurate predictions of diverse material properties across broad chemical spaces.
Md Zaibul Anam   +5 more
wiley   +1 more source

Artificial Intelligence for Multiscale Modeling in Solid‐State Physics and Chemistry: A Comprehensive Review

open access: yesAdvanced Intelligent Systems, EarlyView.
This review explores the transformative impact of artificial intelligence on multiscale modeling in materials research. It highlights advancements such as machine learning force fields and graph neural networks, which enhance predictive capabilities while reducing computational costs in various applications.
Artem Maevskiy   +2 more
wiley   +1 more source

Consequences of Medium‐Pore Zeolite Constraints for Alkene Cracking—The Case of n‐Pentene

open access: yesAngewandte Chemie, EarlyView.
Alkene cracking in medium‐pore zeolites is governed by a balance of enthalpic and entropic effects. Intrinsic barriers are quantified and shown to be lower than for alkanes due to stabilization of carbenium‐ion‐like transition states. Confinement and extra‐framework aluminum modulate reactivity by tuning transition‐state energetics, providing a ...
Ruixue Zhao   +4 more
wiley   +2 more sources

2D Iron Oxide at the Graphene/SiC(0001) Interface. [PDF]

open access: yesSmall Methods
Sakakibara R   +5 more
europepmc   +1 more source

“It's Not Deterministic and It Will Never Be Deterministic”: A Qualitative Study on Stakeholder Perspectives of Polygenic Risk Score Testing for Post‐Traumatic Stress Disorder

open access: yesAmerican Journal of Medical Genetics Part B: Neuropsychiatric Genetics, EarlyView.
ABSTRACT Post‐traumatic stress disorder (PTSD) causes significant mental and physical distress, yet only a small subset of individuals exposed to trauma develop the disorder. Scientists and clinicians are still unable to predict who will get the disorder or how it will manifest.
Brandy M. Fox
wiley   +1 more source

Mechanisms and advances in field assisted machining of SiC. [PDF]

open access: yesInt J Adv Manuf Technol
Wang P   +7 more
europepmc   +1 more source

The Insistence of Blackness and the Persistence of Antiblackness in Ireland

open access: yesAustralian Journal of Social Issues, EarlyView.
ABSTRACT This paper positions Ireland as a critical site for examining the insistence of blackness and an antiblackness created and sustained through Irish ethnonationalist imaginaries and exclusionary processes. Drawing on connected sociologies and Irish Black Studies, this enquiry argues that antiblackness in Ireland operates as a generational force,
Philomena Mullen
wiley   +1 more source

Preparation of SiC/SiO<sub>2</sub> Fibers by Microwave Heating. [PDF]

open access: yesACS Omega
Dong B   +13 more
europepmc   +1 more source

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