Results 191 to 200 of about 147,800 (333)

The Frequency‐Domain Lattice Boltzmann Method (FreqD‐LBM): A Versatile Tool to Predict the QCM Response Induced by Structured Samples

open access: yesAdvanced Theory and Simulations, EarlyView.
FreqD‐LBM simulates the oscillatory flow at the surface of a QCM‐D resonator in the presence of structured adsorbates. It derives shifts of frequency and bandwidth (equivalent to dissipation) on different overtones. Applications include rough surfaces, adsorbed rigid particles, adsorbed viscoelastic particles, spheres floating freely above the surface,
Diethelm Johannsmann   +5 more
wiley   +1 more source

Excitation Energy Transfer between Porphyrin Dyes on a Clay Surface: A Study Employing Multifidelity Machine Learning

open access: yesAdvanced Theory and Simulations, EarlyView.
Inspired by natural light‐harvesting systems, this study computationally investigates a synthetic antenna by arranging cationic free‐base porphyrin molecules on an anionic clay surface. Using a multiscale quantum mechanics/molecular mechanics (QM/MM) approach combined with a multifidelity machine learning method, excitation energies are predicted ...
Dongyu Lyu   +7 more
wiley   +1 more source

Continuum Percolation in Anisotropic Rectangles: The Role of Excluded Area and Average Connectivity at the Threshold

open access: yesAdvanced Theory and Simulations, EarlyView.
This work presents a combined analytical–computational approach to quantify the influence of aspect ratio and anisotropic orientation on the percolation behavior of penetrable rectangles. The proposed model reliably predicts the geometric percolation threshold and electrical conductivity of 2D networks, with power‐law fits showing strong agreement with
Danvendra Singh   +5 more
wiley   +1 more source

Multivariate Screening and Automated Clustering of Macrophage Immunoreactome to Nanoparticles and Photothermal Therapy

open access: yesAdvanced Science, EarlyView.
Predicting immune responses to treatments, including nanomedicines, with high throughput test is challenging due to the immunoreactome's complexity and plasticity. A predictive screening platform integrating pathway activation and gene profiling in macrophages has been developed as a versatile tool for designing effective immunotherapies.
Sonia Becharef   +12 more
wiley   +1 more source

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