Results 51 to 60 of about 17,583 (186)

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, Iman Moshiritabrizi, Anh‐Duong Vo, Kimberley B. McAuley   +3 more
wiley   +1 more source

Linear and Two‐Dimensional Infrared Spectroscopy of the Multifunctional Vibrational Probe, 3‐(4‐Azidophenyl) Propiolonitrile. Deperturbing a Fermi Triad by Isotopic Substitution

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, Jörg Lindner, Stefan Flesch, Luis I. Domenianni, Peter Vöhringer   +4 more
wiley   +1 more source

A Riemannian trust-region method for low-rank tensor completion

, 2017
The goal of tensor completion is to fill in missing entries of a partially known tensor (possibly including some noise) under a low-rank constraint. This may be formulated as a least-squares problem.
Heidel, Gennadij, Schulz, Volker
core   +1 more source

The Pontryagin Forms of Hessian Manifolds [PDF]

, 2015
We show that Hessian manifolds of dimensions 4 and above must have vanishing Pontryagin forms. This gives a topological obstruction to the existence of Hessian metrics. We find an additional explicit curvature identity for Hessian 4-manifolds. By contrast, we show that all analytic Riemannian 2-manifolds are Hessian.
Armstrong, J., Amari, S.
openaire   +2 more sources

Mechanistic Paths for the Gold(I)‐Catalyzed Heteroannulation of Salicylic Amides With Apolar Alkynes Explored With Density Functional Theory Calculations

European Journal of Organic Chemistry, EarlyView.
A manifold of catalytic reaction paths can operate in the Au(I)‐catalyzed heteroannulation of salicylic amides and alkynes. However, a subtle initial nucleophilic advantage of N versus O and a kinetic bottleneck at an advanced stage of the mechanistic machinery seems to suffice for the reaction to run on a single path and with exquisite selectivity. We
Ioannis Stylianakis, Evaggelia Vlachou, Carlos Silva López, Antonios Kolocouris   +3 more
wiley   +1 more source

Quantifying Model Selection Uncertainty in Structural Analysis: Methodology and Application

Earthquake Engineering &Structural Dynamics, EarlyView.
ABSTRACT With increasing focus on complex engineering systems under rare events, computational models are critical for predictions due to the scarcity or absence of data. However, selecting an appropriate model can be challenging. Using a single model without available test calibration could result in significant bias in performance predictions. A case
Ya‐Heng Yang, Tracy C. Becker
wiley   +1 more source

General Framework for Multi‐Degree‐of‐Freedom Stiffness Matrix Updating for Iterative Solution Algorithms in Hybrid Simulation

Earthquake Engineering &Structural Dynamics, EarlyView.
ABSTRACT Iterative solvers are advantageous for handling nonlinear structural analysis problems. The iterative solvers often require updating the stiffness matrix, which limits their application in static and pseudo‐dynamic hybrid simulations because: (1) updating the stiffness matrix of a system involving a physical specimen is challenging; (2 ...
Junyan Xiao, Oh‐Sung Kwon, Evan Bentz
wiley   +1 more source

Recent advances in multifunctional soft robots: A materials–structures–systems co‐design perspective for synergistic integration

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, Zicao Peng, Chong Sun, Haitao Yang   +3 more
wiley   +1 more source

Zeroth-Order Riemannian Adaptive Regularized Proximal Quasi-Newton Optimization Method

Axioms
Recently, the adaptive regularized proximal quasi-Newton (ARPQN) method has demonstrated a strong performance in solving composite optimization problems over the Stiefel manifold.
Yinpu Ma, Cunlin Li, Zhichao Wang, Qian Li   +3 more
doaj   +1 more source

Selfsimilar Hessian and conformally K��hler manifolds

, 2020
Let $(M,\nabla,g)$ be a Hessian manifold. Then the total space of the tangent bundle $TM$ can be endowed with a K hler structure $\left(I,{\cal g}\right)$. We say that a homogeneous Hessian manifold is a Hessian manifold $(M,\nabla,g)$ endowed with a transitive action of a group $G$ preserving $\nabla$ and $g$.
openaire   +2 more sources