Results 31 to 40 of about 28,156 (165)

AIMNet2‐NSE: A Transferable Reactive Neural Network Potential for Open‐Shell Chemistry

Angewandte Chemie, Volume 138, Issue 5, 28 January 2026.
AIMNet2‐NSE enables accurate modeling of open‐shell radical chemistry through neural spin‐charge equilibration (NSE). This machine learning interatomic potential predicts radical reaction energies, barriers, and spin‐crossing events with near‐DFT accuracy while offering five orders of magnitude computational speedup, making high‐throughput exploration ...
Bhupalee Kalita, Roman Zubatyuk, Dylan M. Anstine, Maike Bergeler, Volker Settels, Conrad Stork, Sebastian Spicher, Olexandr Isayev   +7 more
wiley   +2 more sources

Isogeometric Boundary Elements in Electromagnetism: Rigorous Analysis, Fast Methods, and Examples

, 2019
We present a new approach to three-dimensional electromagnetic scattering problems via fast isogeometric boundary element methods. Starting with an investigation of the theoretical setting around the electric field integral equation within the ...
Dölz, Jürgen, Kurz, Stefan, Schöps, Sebastian, Wolf, Felix   +3 more
core   +1 more source

Design, Control, and Clinical Applications of Magnetic Actuation Systems: Challenges and Opportunities

Advanced Intelligent Systems, Volume 7, Issue 3, March 2025.
This review aims to provide a broad understanding for interdisciplinary researchers in engineering and clinical applications. It addresses the development and control of magnetic actuation systems (MASs) in clinical surgeries and their revolutionary effects in multiple clinical applications.
Yingxin Huo, Lidong Yang, Tiantian Xu, Dong Sun   +3 more
wiley   +1 more source

Electromagnetic Scattering and Statistic Analysis of Clutter from Oil Contaminated Sea Surface [PDF]

, 2015
In order to investigate the electromagnetic (EM) scattering characteristics of the three dimensional sea surface contaminated by oil, a rigorous numerical method multilevel fast multipole algorithm (MLFMA) is developed to preciously calculate the ...
Qi, C. H., Zhao, Z. Q.
core   +2 more sources

Quantum Chemistry Investigation of Linear and Nonlinear (chir)optical Properties of Oligoamide Foldamers

ChemistryEurope, EarlyView.
The linear and nonlinear (chir)optical properties of four oligoamide foldamers with different donor groups are studied by means of time‐dependent density functional theory calculations. It is shown that stronger donors yield larger hyperpolarizabilities due to low‐lying charge–transfer states. The agreement with the experiments concerning the key bands
Komlanvi Sèvi Kaka, Andrea Bonvicini, Yann Ferrand, Céline Olivier, Vincent Rodriguez, Benoît Champagne   +5 more
wiley   +1 more source

Dipole‐Quadrupole Model and Multipole Analysis of Resonant Membrane Metasurfaces

Laser &Photonics Reviews, EarlyView.
Membrane metasurfaces, arrays of holes in a dielectric membrane, are appealing because they require no substrate and allow access to resonant near‐fields. However, developing a comprehensive theoretical description for them remains challenging. We introduce a semi‐analytical dipole‐quadrupole approach to analyze their resonant spectra at arbitrary ...
Izzatjon Allayarov, Andrey B. Evlyukhin, Antonio Calà Lesina   +2 more
wiley   +1 more source

A Perspective of Multi‐Reflecting TOF MS

Mass Spectrometry Reviews, EarlyView.
ABSTRACT Time‐of‐flight mass spectrometry (TOF MS) excels in rapid and high‐sensitivity analysis, making it a cornerstone of analytical chemistry. But as sample complexity explodes in omics studies, so does the need for higher resolving power to ensure accurate results.
A. N. Verenchikov, V. V. Makarov, A. V. Vorobyev, S. N. Kirillov   +3 more
wiley   +1 more source

Bridging the Effects of Noncontact Temperature Sensing and Cellular Biofunctionality in Nanosized Dysprosium(III)‐Doped Fluorapatite

Small, EarlyView.
Multifunctional dysprosium(III) ion–doped fluorapatite nanomaterials combine bioactivity with photoluminescent temperature sensing. The biological studies reveal interactions with progenitor cells, highlighting potential applications in regenerative medicine and tissue engineering, while temperature‐dependent emission of Dy³⁺ ions enables reliable ...
Sara Targonska, Natalia Charczuk, Adam Kabanski, Klaudia Marcinkowska, Joanna Sulecka‐Zadka, Daria Szymanowska, Agnieszka Śmieszek, Rafal J. Wiglusz   +7 more
wiley   +1 more source

A Subvoxel Correction of Boiling‐Induced Susceptibility Artifacts in Magnetic Resonance Thermometry and Dosimetry for Monitoring Microwave Thermoablation: A Feasibility Study in a Swine Model

Magnetic Resonance in Medicine, Volume 95, Issue 3, Page 1698-1713, March 2026.
ABSTRACT Purpose Real‐time monitoring of microwave liver ablation (MWA) using MRI thermometry can be hindered by boiling‐induced susceptibility artifacts. These artifacts cause large temperature measurement errors that prevent accurate lesion size prediction.
Eber Dantas, Rebecca Lafont, Pierre Bour, Thibaut Faller, Bruno Quesson, Helcio R B Orlande, Valéry Ozenne   +6 more
wiley   +1 more source

Fast Multipole Method for the Biharmonic Equation [PDF]

, 2005
The evaluation of sums (matrix-vector products) of the solutions of the three-dimensional biharmonic equation can be accelerated using the fast multipole method, while memory requirements can also be significantly reduced.
Duraiswami, Ramani, Gumerov, Nail A.
core