Optimal non-linear dimension reduction scheme for classical molecular dynamics

DOI10.1007/s10910-011-9874-8zbMath1227.92051OpenAlexW1983024381MaRDI QIDQ652724

Bijoy K. Dey

Publication date: 15 December 2011

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-011-9874-8

zbMATH Keywords

optimizationsubspace

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08)

Related Items (1)

Surrogate modeling of the effective elastic properties of spherical particle-reinforced composite materials

Cites Work

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• An Efficient Newton-Type Iteration for the Numerical Solution of Highly Oscillatory Constrained Multibody Dynamic Systems
• Eigenanalysis of unsteady flows about airfoils, cascades, and wings

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