Verlet-I/r-RESPA/Impulse is limited by nonlinear instabilities

SIAM Journal on Scientific Computing

Volumn 24, Issue 6, 2003, Pages 1951-1973

  Ma, Qun ^a   Izaguirre, Jesús A ^a   Skeel, Robert D ^b  

^a University of Notre Dame   (United States)

^b UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

KAM theory; Langevin stabilization; Long molecular dynamics simulations; Mollified impulse method; Multiple time stepping; Nonlinear instability; Verlet I r RESPA Impulse

Indexed keywords

ASYMPTOTIC STABILITY; COMPUTER SIMULATION; DROP FORMATION; INTEGRATION; MATHEMATICAL MODELS; MATRIX ALGEBRA; MOLECULAR DYNAMICS; ORDINARY DIFFERENTIAL EQUATIONS; PERTURBATION TECHNIQUES; PROTEINS; VECTORS; WATER;

LANGEVIN STABILIZATION; LONG MOLECULAR DYNAMICS SIMULATION; MOLLIFIED IMPULSE METHOD; MULTIPLE TIME STEPPING INTEGRATOR; NONLINEAR INSTABILITY;

EQUATIONS OF MOTION;

EID: 0346946971     PISSN: 10648275     EISSN: None     Source Type: Journal    
DOI: 10.1137/S1064827501399833     Document Type: Article

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