Results 221 to 230 of about 117,697,012 (350)

The Importance of Metal‐Organic Framework Linker Atoms for CO2 Reduction: A DFT Study

open access: yesAdvanced Science, EarlyView.
Using DFT, we examine the role of linker atoms in CO2 reduction on copper‐based metal organic frameworks (Cu MOFs). Our calculations reveal that linker atoms may serve as both CO2 and H‐shuttling sites and suggest linker electrostatics as a descriptor for linker activity. ABSTRACT Although the metal within the secondary building unit of a metal‐organic
Ugochukwu Nwosu, Samira Siahrostami
wiley   +1 more source

Physics‐Embedded Neural Network: A Novel Approach to Design Polymeric Materials

open access: yesAdvanced Science, EarlyView.
Traditional black‐box models for polymer mechanics rely solely on data and lack physical interpretability. This work presents a physics‐embedded neural network (PENN) that integrates constitutive equations into machine learning. The approach ensures reliable stress predictions, provides interpretable parameters, and enables performance‐driven, inverse ...
Siqi Zhan   +8 more
wiley   +1 more source

Based on Nonlinear Control Theory: Quantum System Regulation

open access: yes
This paper investigates the application of nonlinear control theory to the precise regulation of quantum systems. Traditional control methods often struggle with the inherent complexities and sensitivities of quantum systems. This work proposes a novel approach leveraging nonlinear control techniques to directly manipulate quantum state evolution.
openaire   +1 more source

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

Cyclic Mechanical Loading of Cardiomyocytes via Pressure‐Driven Non‐Planar Membrane Deformation in a Bioreactor System

open access: yesAdvanced Science, EarlyView.
In this research article, Mansoor and coworkers present a novel device that applies controlled mechanical stimuli to cardiomyocytes using pressure‐driven membrane deformation. By exposing cells to physiologically and pathologically relevant loading conditions, the platform reproduces distinct structural, functional and molecular responses associated ...
Haris Mansoor   +11 more
wiley   +1 more source

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