Variational collision integrator for polymer chains

DOI10.1016/J.JCP.2012.01.017MaRDI QIDQ419687zbMATHOpenAlexFDO

Authors Sigrid Leyendecker, Carsten Hartmann, Michael Koch

Publication date 18 May 2012

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.jcp.2012.01.017

zbMATH Keywords

collisionsvariational integratorsholonomic constraintspolymer dynamicschain of beadsdiscrete null space methodevent-driven algorithm

Mathematics Subject Classification ID

Statistical mechanics of polymers (82D60)

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Cites work

• scientific article; zbMATH DE number 1216693 (Why is no real title available?)
• Applied functional analysis. Main principles and their applications
• Asynchronous variational integrators
• Backward Error Analysis for Numerical Integrators
• Beyond conventional Runge-Kutta methods in numerical integration of ODEs and DAEs by use of structures and local models
• Decomposition contact response (DCR) for explicit finite element dynamics
• Difference Methods for Differential Inclusions: A Survey
• Discrete mechanics and variational integrators
• Geometric Numerical Integration
• Mechanical integrators derived from a discrete variational principle
• Molecular dynamics and the accuracy of numerically computed averages
• Multirate linear multistep methods
• Nonsmooth Lagrangian Mechanics and Variational Collision Integrators
• Numerical methods for Hamiltonian PDEs
• RATTLE: A velocity version of the SHAKE algorithm for molecular dynamics calculations
• Simulating Hamiltonian Dynamics
• Specialized Partitioned Additive Runge–Kutta Methods for Systems of Overdetermined DAEs with Holonomic Constraints
• Stabilized Integration of Hamiltonian Systems with Hard-Sphere Inequality Constraints
• Symplectic Integration of Constrained Hamiltonian Systems
• The discrete null space method for the energy consistent integration of constrained mechanical systems. Part II: multibody dynamics
• The discrete null-space method for the energy-consistent integration of constrained mechanical systems. I: Holonomic constraints
• Variational integrators for constrained dynamical systems

Cited in

(5)

• Discrete Lagrangian mechanics for nonseparable nonsmooth systems
• Discontinuous variational time integrators for complex multibody collisions
• Variational methods for constrained polymer dynamics
• Accurate and efficient simulations of Hamiltonian mechanical systems with discontinuous potentials
• Dynamical models of molecular chains and efficient integration algorithms

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