Verlet-I/R-RESPA/Impulse is Limited by Nonlinear Instabilities

DOI10.1137/S1064827501399833zbMath1163.65317OpenAlexW2027988108MaRDI QIDQ4442445

Qun Ma, Robert D. Skeel, Jesús A. Izaguirre

Publication date: 20 January 2004

Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1137/s1064827501399833

zbMATH Keywords

KAM theoryimpulsenonlinear instabilitymultiple time steppingLangevin stabilizationlong molecular dynamics simulationsmollified Impulse method

Mathematics Subject Classification ID

Numerical methods for initial value problems involving ordinary differential equations (65L05)

Related Items (6)

A family of time-staggered schemes for integrating hybrid DPD models for polymers: Algorithms and applications ⋮ Multiple time step molecular dynamics simulation for interaction between dislocations and grain boundaries ⋮ A fast mollified impulse method for biomolecular atomistic simulations ⋮ A patch that imparts unconditional stability to explicit integrators for Langevin-like equations ⋮ The effects of intrinsic dynamical ghost modes in discrete-time Langevin simulations ⋮ Time-parallel multiscale/multiphysics framework

Uses Software

• ProtoMol
• SETTLE
• SPASMS

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