Jesus A. Izaguirre, Qun Ma, Thierry Matthey, Jeremiah Willcock, Thomas Slabach, Branden Moore, George Viamontes  Home/Search
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Abstract: The primary objective of this paper is to explain the derivation of symplectic molli ed Verlet-I/r-RESPA (MOLLY) methods that overcome linear and nonlinear instabilities that arise as numerical artifacts in Verlet-I/r-RESPA. These methods allow for lengthening of the longest time step used in molecular dynamics (MD). We provide evidence that MOLLY methods can take a longest time step that is 50% greater than that of Verlet-I/r-RESPA, for a given drift, including no drift. A 350% increase in... (Update)
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1.7: Verlet-I/r-RESPA/Impulse Is Limited by Nonlinear Instability - Ma, Izaguirre, Skeel (Correct)
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BibTeX entry: (Update)
@misc{ izaguirre-overcoming,
author = "Jesus A. Izaguirre and Qun Ma and Thierry Matthey and Jeremiah Willcock
and Thomas Slabach and Branden Moore and George Viamontes",
title = "Overcoming instabilities in Verlet-I/r-RESPA with the mollified impulse
method",
url = "citeseer.ist.psu.edu/716335.html" }
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