Efficient Coarse-Grained Molecular Simulations in the Multibody Dynamics Scheme

DOI10.1007/978-94-007-5404-1_7zbMath1311.92206OpenAlexW68889407MaRDI QIDQ2856514

Mohammad Poursina, Kurt S. Anderson

Publication date: 29 October 2013

Published in: Computational Methods in Applied Sciences (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/978-94-007-5404-1_7

zbMATH Keywords

generalized divide-and-conquer algorithmmultibody-based coarse-grained simulations

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08) Dynamics of a rigid body and of multibody systems (70E99) Molecular, statistical, and kinetic theories in solid mechanics (74A25)

Related Items (4)

An improved fast multipole method for electrostatic potential calculations in a class of coarse-grained molecular simulations ⋮ Optimization problem and efficient partitioning algorithm for transitions to finer-scale models in adaptive resolution simulation of articulated biopolymers ⋮ Model transitions and optimization problem in multi-flexible-body systems: application to modeling molecular systems ⋮ Canonical ensemble simulation of biopolymers using a coarse-grained articulated generalized divide-and-conquer scheme

Cites Work

• A divide-and-conquer direct differentiation approach for multibody system sensitivity analysis
• Orthogonal complement based divide-and-conquer algorithm for constrained multibody systems
• Modeling intermittent contact for flexible multibody systems
• A simple and highly parallelizable method for real-time dynamic simulation based on velocity transformations
• A fast recursive algorithm for molecular dynamics simulation
• An efficient direct differentiation approach for sensitivity analysis of flexible multibody systems
• Efficient methodology for multibody simulations with discontinuous changes in system definition
• Unified formulation of dynamics for serial rigid multibody systems
• Real-Time Simulation of Multibody Dynamics on Shared Memory Multiprocessors
• Efficient Dynamic Computer Simulation of Robotic Mechanisms
• A fast algorithm for particle simulations

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