Systems with multiple-time-scale dynamics

The present chapter introduces the reader to singular perturbation theory as the framework for modeling and analyzing systems with multiple-time-scale dynamics, which we will make extensive use of throughout the text. 

Systems with multiple-time-scale dynamics... 

It is not surprising that the two main classes of microscopic simulations have evolved quite independently. Aside from the obvious problem of calculating potential energy functions (surfaces), the greatest computational difficulty arises in treating systems with multiple time scales. Dynamical simulations within class A are feasible because the bulk properties of interest can be determined on a time scale corresponding to a computationally finite number of molecular collisions. When the most important events are rare on this time scale, one rapidly reaches the limits of feasibility for detailed molecular dynamics... 

Mark E. Tuckerman, Glenn J. Martyna, and Bruce J. Berne. Molecular dynamics algorithm for condensed systems with multiple time scales. J. Chem. Phys., 93(2) 1287-1291, Jul. 1990. 

M. E. Tuckerman and B. J. Berne. Molecular dynamics in systems with multiple time scales Systems with stiff and soft degrees of freedom and with short and long range forces. J. Comp. Chem., 95 8362-8364, 1992. 

Molecular Dynamics in Systems with Multiple Time Scales Reference System Propagator Algorithms... 

Tuckerman, M., Martyna, G. J., Berne, J. Molecular Dynamics Algorithm for Condensed Systems with Multiple Time Scales. J. Chem. Phys. 93 (1990) 1287-1291... 

M. E. Tuckerman and B. J. Berne,/. Chem. Phys., 95, 8362 (1991). Molecular Dynamics in Systems with Multiple Time Scales Systems with Stiff and Soft Degrees of Freedom and with Short and Long Range Forces. 

Usually refers to a method of solving Newton s equations of classical mechanics numerically, in order to propagate the positions and velocities of a system of molecules forward in time and thus to explore the phase space of the system. See Molecular Dynamics and Hybrid Monte Carlo in Systems with Multiple Time Scales and Long-range Forces Reference System Propagator Algorithms Molecular Dynamics DMA Molecular Dynamics Simulations of Nucleic Acids Molecular Dynamics Studies of Lipid Bilayers and Molecular Dynamics Techniques and Applications to Proteins. 

MOLECULAR DYNAMICS AND HYBRID MONTE CARLO IN SYSTEMS WITH MULTIPLE TIME SCALES 1615... 

Free Energy Perturbation Calculations Molecular Dynamics and Hybrid Monte Carlo in Systems with Multiple Time Scales and Long-range Forces Reference System Propagator Algorithms Molecular Dynamics DNA Molecular Dynamics Simulations of Nucleic Acids Molecular Dynamics Studies of Lipid Bilayers. 

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