Results 91 to 100 of about 663,691 (274)

Recent Progress in Oxide‐Based Na‐Ion Conductors

Advanced Engineering Materials, EarlyView.
Recent advances in oxide‐based sodium‐ion conductors are reviewed, focusing on β/β″‐alumina, NASICON‐type compounds, and Na5YSi4O12‐type (N5) silicates, together with emerging perovskite and layered oxides. Improvements in ionic conductivity, compositional tuning, and processing are highlighted.
Bowei Xun, Jian Wang, Hubertus Rainaldo Arindra, Katsuro Hayashi   +3 more
wiley   +1 more source

A Perspective on Sustainable Computational Chemistry Software Development and Integration. [PDF]

J Chem Theory Comput, 2023
Di Felice R, Mayes ML, Richard RM, Williams-Young DB, Chan GK, de Jong WA, Govind N, Head-Gordon M, Hermes MR, Kowalski K, Li X, Lischka H, Mueller KT, Mutlu E, Niklasson AMN, Pederson MR, Peng B, Shepard R, Valeev EF, van Schilfgaarde M, Vlaisavljevich B, Windus TL, Xantheas SS, Zhang X, Zimmerman PM.   +24 more
europepmc   +1 more source

What Do Large Language Models Know About Materials?

Advanced Engineering Materials, EarlyView.
If large language models (LLMs) are to be used inside the material discovery and engineering process, they must be benchmarked for the accurateness of intrinsic material knowledge. The current work introduces 1) a reasoning process through the processing–structure–property–performance chain and 2) a tool for benchmarking knowledge of LLMs concerning ...
Adrian Ehrenhofer, Thomas Wallmersperger, Gianaurelio Cuniberti   +2 more
wiley   +1 more source

Chemical research projects office: An overview and bibliography, 1975-1980 [PDF]

The activities of the Chemical Research Projects Office at Ames Research Center, Moffett Field, California are reported. The office conducts basic and applied research in the fields of polymer chemistry, computational chemistry, polymer physics, and ...
Heimbuch, A. H., Kourtides, D. A., Parker, J. A.   +2 more
core   +1 more source

Numerical Investigation of a Dual‐Mode Shape Memory Alloy Stent Enabling Secondary Expansion via Focused Ultrasound: A Potential Strategy for Correcting In‐Stent Restenosis

Advanced Engineering Materials, EarlyView.
This study demonstrates a novel noninvasive strategy to treat in‐stent restenosis using focused ultrasound. A shape memory alloy stent initially expands at body temperature. If restenosis occurs, targeted ultrasound heating thermally actuates the stent, enabling a secondary expansion to reopen the blocked vessel, offering a potential alternative to ...
Stephen Asare, Lucinda Duncan, Josiah Owusu‐Danquah, Brian L. Davis   +3 more
wiley   +1 more source

Computational Inorganic and Analytical Chemistry

CHIMIA, 1994
Our research activity in computational chemistry at the university of Fribourg is briefly presented including topics like: Electronic structure calculation of coordination compounds, density functional theory, multiplet structure calculation ...
Claude Daul
doaj   +2 more sources

Open-Source Machine Learning in Computational Chemistry. [PDF]

J Chem Inf Model, 2023
Hagg A, Kirschner KN.
europepmc   +1 more source

Compressible Flow Exfoliation of Two‐Dimensional Nanomaterials: Insights Into Layer Separation Informed by Gas Dynamics

Advanced Engineering Materials, EarlyView.
This study elucidates the mechanism of compressible flow exfoliation for producing 2D hexagonal boron nitride (h‐BN). Fluid dynamics analysis reveals that acceleration‐driven aerodynamic shear forces, rather than shock waves alone, drive effective layer separation.
Md Farhadul Islam, Saeed Arabha, Ray Hixon, Reza Rizvi   +3 more
wiley   +1 more source

Transfer of Energy and Momentum Between Magnetoactive Surface Microstructure and a Solid Object

Advanced Engineering Materials, EarlyView.
We demonstrate that magnetoactive multilamellar arrays subjected to a rotating magnetic field can function as platforms for controlled transport of physical objects. Through systematic experimental investigation, we elucidate the underlying physical mechanisms determining the upper limit of the achievable transportation speed in such magnetic “conveyor‐
Arne Geldof, Jan Kopačin, Izidor Straus, Raphael Kriegl, Gaia Kravanja, Luka Hribar, Matija Jezeršek, Mikhail Shamonin, Gašper Kokot, Irena Drevenšek‐Olenik   +9 more
wiley   +1 more source

Linear-Scaling Quantum Circuits for Computational Chemistry. [PDF]

J Chem Theory Comput, 2023
Magoulas I, Evangelista FA.
europepmc   +1 more source