Results 231 to 240 of about 5,971,680 (301)

PyOrbb—Automated Analyses of Orbital‐Interaction Mechanisms

open access: yesJournal of Computational Chemistry, Volume 47, Issue 26, October 5, 2026.
PyOrbb is an open‐source program that automates fragment‐based orbital interaction analysis from ADF calculations. It identifies the chemically most significant attractive and repulsive interactions and presents them as publication‐ready MO diagrams.
Yuman Hordijk   +8 more
wiley   +1 more source

Stochastic Gradient Descent in High Dimensions for Multi‐Spiked Tensor PCA

open access: yesCommunications on Pure and Applied Mathematics, Volume 79, Issue 10, Page 2291-2369, October 2026.
ABSTRACT We study the high‐dimensional dynamics of online stochastic gradient descent (SGD) for the multi‐spiked tensor model. This multi‐index model arises from the tensor principal component analysis (PCA) problem with multiple spikes, where the goal is to estimate the unknown signal vectors within the N$N$‐dimensional unit sphere through maximum ...
Gérard Ben Arous   +2 more
wiley   +1 more source

Cross‐Entropy of Power Spectral Density Function: A Modal Identification Framework

open access: yesEarthquake Engineering &Structural Dynamics, Volume 55, Issue 12, Page 3012-3028, 10 October 2026.
ABSTRACT The power spectral density (PSD) function of measured structural response contains a significant amount of information, including the modal parameters (natural frequencies, damping ratios). Output‐only system identification or modal identification technique can be used for extracting such modal parameters from the measured response or its ...
Su‐Hong Kim   +3 more
wiley   +1 more source

Laterally Oscillating Trajectory for Undersampling Slices: LOTUS

open access: yesMagnetic Resonance in Medicine, Volume 96, Issue 4, Page 1682-1695, October 2026.
ABSTRACT Purpose While spiral sampling offers SNR advantages for diffusion MRI, its acceleration with simultaneous multislice remains relatively unexplored. This study introduces Laterally Oscillating Trajectory for Undersampling Slices (LOTUS), which is a 3D spiral‐like k‐space trajectory that aims to minimize g‐factor via controlled incoherent ...
Mayuri Sothynathan   +2 more
wiley   +1 more source

Analysis of Eigenvalue Clustering Leads to Optimal Scaling in Numerical Radiative Transfer

open access: yesNumerical Linear Algebra with Applications, Volume 33, Issue 5, October 2026.
ABSTRACT We consider a multidimensional polychromatic radiative transfer (RT) problem, accounting for scattering processes in a general form, that is, anisotropic (dipole) scattering with partial frequency redistribution. Given a discrete ordinates (SN$$ {S}_N $$) discretization, we report the corresponding matrix structures, depending on the model and
Pietro Benedusi   +3 more
wiley   +1 more source

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