Results 151 to 160 of about 2,506 (306)

Machine Learning Accelerated Computational Design of Bio‐Inspired Catalysts in the Nitrogen Reduction Reaction

open access: yesAdvanced Materials, EarlyView.
We introduce a computational workflow that combines quantum chemical calculations and machine learning techniques to predict the catalytic performance of a wide range of catalysts in the nitrogen reduction reaction (NRR). The analysis of the trained models provides insights into the complex structure–activity relationship in experimental catalytic ...
Leonardo Di Ciano   +5 more
wiley   +1 more source

Composition of some positive linear integral operators

open access: yesDemonstratio Mathematica
This article is devoted to constructing sequences of integral operators with the same Voronovskaja formula as the generalized Baskakov operators, but having different behavior in other respects.
Acu Ana-Maria, Rasa Ioan, Sofonea Florin
doaj   +1 more source

Deep Learning Inverse Design of Phase‐Change Reconfigurable Terahertz Metadevices for Multidimensional Secure Communication

open access: yesAdvanced Materials, EarlyView.
A deep learning inverse‐design framework is established to create versatile reconfigurable terahertz metadevices. By synergizing deep learning with phase‐change materials, this approach enables on‐demand customization of multidimensional electromagnetic responses.
Yisheng Dong   +11 more
wiley   +1 more source

Generalized inverses of matrices over skew polynomial rings

open access: yes, 2017
The applications of generalized inverses of matrices appear in many fields like applied mathematics, statistics and engineering [2]. In this thesis, we discuss generalized inverses of matrices over Ore polynomial rings (also called Ore matrices).
Feng, Qiwei
core  

Ferroelectric Dynamic‐Field‐Driven Nucleation and Growth Model for Predictive Materials‐To‐Circuit Co‐Design

open access: yesAdvanced Materials, EarlyView.
This study presents a compact dynamic‐field‐driven nucleation and growth (DFNG) model that captures ferroelectric switching behavior under arbitrary voltage waveforms. It enables extraction of time‐dependent domain wall velocity and growth dimensionality, which can then be extended to device‐level modeling.
Yi Liang   +10 more
wiley   +1 more source

Nonlocal Metaspire: A Scalable Elastic Material Platform With Decoupled Mechanical Modes

open access: yesAdvanced Materials, EarlyView.
Nonlocal Metaspire introduces sequential rotation to realize wider scalability in implementing complex nonlocal couplings in elastic metamaterials while suppressing unintended mode coupling. Numerical results clarify the underlying wave motions, demonstrate mode‐decoupled roton and maxon formation, and support a straightforward extension to higher ...
Seung Han Kim   +3 more
wiley   +1 more source

Measuring and Manipulating Density of States in Two‐Dimensional Materials With Electrochemical Capacitance

open access: yesAdvanced Materials Interfaces, EarlyView.
We report electrochemical quantum capacitance spectroscopy as an ambient, in situ probe for defect‐mediated electronic structure at 2D material interfaces. Using monolayer MoS2, the method resolves band edges and vacancy states, tracks sulfur‐vacancy evolution during hydrogen evolution, and links interfacial density‐of‐states changes to nearly ...
Mengyu Yan   +9 more
wiley   +1 more source

Reliable algorithms for computing minimal dynamic covers for descriptor systems

open access: yes, 2004
Minimal dimension dynamic covers play an important role in solving the structural synthesis problems of minimum order functional observers or fault detectors, or in computing minimal order inverses or minimal degree solutions of rational equations.
A. Varga, Varga, Andras
core  

Xenes for Sustainable Energy: A Roadmap From First‐Principles Design to Practical Deployment

open access: yesAdvanced Materials Interfaces, EarlyView.
Emerging 2D Xenes are advancing from theoretical predictions toward practical energy‐storage and conversion technologies through the integration of first‐principles modelling, experimental synthesis, electrochemical validation, and AI‐assisted materials design, enabling accelerated discovery of high‐performance and sustainable electrochemical systems ...
Onur Karaman, Ceren Karaman
wiley   +1 more source

Home - About - Disclaimer - Privacy