Model transitions and optimization problem in multi-flexible-body systems: application to modeling molecular systems

DOI10.1016/j.cpc.2013.02.025zbMath1287.65005OpenAlexW2071201756MaRDI QIDQ2446013

Mohammad Poursina, Imad Khan, Kurt S. Anderson

Publication date: 15 April 2014

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2013.02.025

zbMATH Keywords

numerical examplemolecular dynamicsoptimization problemdivide-and-conquer algorithmadaptive simulationsmodel transitionsmulti-flexible-body dynamics

Mathematics Subject Classification ID

Probabilistic models, generic numerical methods in probability and statistics (65C20) Dynamic and nonequilibrium phase transitions (general) in statistical mechanics (82C26) PDEs in connection with statistical mechanics (35Q82)

Related Items

Extension of the divide-and-conquer algorithm for the efficient inverse dynamics analysis of multibody systems ⋮ A methodology for simulations of multi-rigid body systems with topology changes ⋮ A logarithmic complexity divide-and-conquer algorithm for multi-flexible-body dynamics including large deformations

Cites Work

• Unnamed Item
• A divide-and-conquer direct differentiation approach for multibody system sensitivity analysis
• Substructured molecular dynamics using multibody dynamics algorithms
• Orthogonal complement based divide-and-conquer algorithm for constrained multibody systems
• Modeling intermittent contact for flexible multibody systems
• An efficient direct differentiation approach for sensitivity analysis of flexible multibody systems
• Efficient methodology for multibody simulations with discontinuous changes in system definition
• Efficient Coarse-Grained Molecular Simulations in the Multibody Dynamics Scheme
• Fractional dimensions of phase space variables: a tool for varying the degrees of freedom of a system in a multiscale treatment

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