Results 51 to 60 of about 1,147 (194)
Chemistry – A European Journal, EarlyView.Machine‐learning potentials are increasingly taking on the exploratory tasks of homogeneous catalysis, enabling rapid conformer sampling and reaction‐space mapping. However, when selectivity depends on subtle electronic effects, electronic‐structure methods remain essential.
Maxime Ferrer +3 more
wiley +1 more source
Hessian manifolds of constant Hessian sectional curvature
Journal of the Mathematical Society of Japan, 1995 Let \(M\) be a flat affine manifold with a flat affine connection \(D\). If \(M\) admits a Riemannian metric \(g\) such that \(g\) is locally expressed by \(g= D^2 u\), then \((M, D, g)\) is said to be a Hessian manifold. We define Hessian sectional curvatures (these correspond to holomorphic sectional curvatures for Kählerian manifolds) and construct ...
openaire +3 more sources
Hessian Equations of Krylov Type on Kähler Manifolds
The Journal of Geometric Analysis, 2023 In this paper, we consider Hessian equations with its structure as a combination of elementary symmetric functions on closed Kähler manifolds. We provide a sufficient and necessary condition for the solvability of these equations, which generalize the results of Hessian equations and Hessian quotient equations.
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A‐optimal model‐based design of experiments for processes with uncertain inputs
The Canadian Journal of Chemical Engineering, EarlyView.Abstract Model‐based design of experiments (MBDoE) techniques are tools for selecting experimental conditions that enable accurate parameter estimation for mechanistic models. Most MBDoE approaches assume that the selected experimental conditions will be implemented perfectly, without uncertainties in the independent variables.
Bright Ofori +3 more
wiley +1 more source
The Gauge Equation in Statistical Manifolds: An Approach through Spectral Sequences
MathematicsThe gauge equation is a generalization of the conjugacy relation for the Koszul connection to bundle morphisms that are not isomorphisms. The existence of nontrivial solution to this equation, especially when duality is imposed upon related connections ...
Michel Nguiffo Boyom +1 more
doaj +1 more source
Stochastic Gradient Descent in High Dimensions for Multi‐Spiked Tensor PCA
Communications on Pure and Applied Mathematics, EarlyView.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
ChemPhysChem, Volume 26, Issue 6, March 15, 2025.Linear infrared spectroscopy combined with isotope labeling and density functional theory unravels the origin of a Fermi triad in a multifunctional vibrational chromophore. Ultrafast 2DIR‐spectroscopy reports directly on the dynamics and the intramolecular vibrational energy flow pathways in the isotopically deperturbed system. Abstract Infrared probes
Claudia Gräve +4 more
wiley +1 more source
FlexMat, EarlyView.Abstract Soft robots, engineered from highly compliant materials, offer superior adaptability and safety in unstructured environments compared to their rigid counterparts. Recent advancements, fueled by bio‐inspiration and material programmability, have led to the rapid co‐evolution of their core modules: actuation, sensing, protection, energy, and ...
Qiulei Liu +3 more
wiley +1 more source
Riemannian Optimal Model Reduction of Stable Linear Systems
IEEE Access, 2019 In this paper, we develop a method for solving the problem of minimizing the H2 error norm between the transfer functions of the original and reduced systems on the product set of the set of stable matrices and two Euclidean spaces. That is, we develop a
Kazuhiro Sato
doaj +1 more source