Titlebook: Numerical Simulation in Molecular Dynamics; Numerics, Algorithms Michael Griebel,Gerhard Zumbusch,Stephan Knapek Textbook 2007 Springer-Ver

annexation

Extensions to More Complex Potentials and Molecules,ntials, and we discuss the necessary changes in the algorithms. We start with three examples for many-body potentials, the potential of Finnis and Sinclair [232, 330, 593], the EAM potential [64, 173, 174], and the potential of Brenner [122]. The Finnis-Sinclair potential and the EAM potential descr

FECK

Time Integration Methods,oximately at selected points along the time axis. There, approximations to the values at later points in time are computed from the values of the approximations at previous points in time in an incremental fashion. Now, we consider time integration methods in a more general framework. First, we disc

陶器

道學(xué)氣

Applications from Biochemistry and Biophysics,ve on the various problems from biochemistry and biophysics which can be treated and studied with the molecular dynamics methods that we described in this book. Applications include the general dynamics of proteins and their conformations, the formation of membrane structures, the determination of i

CAMP