Sparse interpolatory reduced-order models for simulation of light-induced molecular transformations

DOI10.1080/10556788.2012.693928zbMath1284.82010OpenAlexW2055184420WikidataQ57443194 ScholiaQ57443194MaRDI QIDQ5746697

David Mokrauer, Carl. T. Kelley

Publication date: 7 February 2014

Published in: Optimization Methods and Software (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1080/10556788.2012.693928

zbMATH Keywords

controlerror estimationmolecular dynamicssparse interpolation

Mathematics Subject Classification ID

Numerical optimization and variational techniques (65K10) Numerical interpolation (65D05) Numerical methods for initial value problems involving ordinary differential equations (65L05) Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21) Error bounds for numerical methods for ordinary differential equations (65L70) Molecular physics (81V55) Software, source code, etc. for problems pertaining to statistical mechanics (82-04)

Related Items (1)

A Sparse Interpolation Algorithm for Dynamical Simulations in Computational Chemistry

Cites Work

• Unnamed Item
• Explicit cost bounds of algorithms for multivariate tensor product problems
• Simple cubature formulas with high polynomial exactness
• High dimensional polynomial interpolation on sparse grids
• High dimensional integration of smooth functions over cubes
• Numerical Solution of Ordinary Differential Equations
• A new approach to variable metric algorithms

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