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Classical Approach to Constrained and Unconstrained Molecular Dynamics

Ajith Gunaratne

$122.95   $98.52

Paperback

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English
Xlibris Us
21 July 2018
In this book, we propose a penalty-function method for constrained molecular dynamics simulation by defining a quadratic penalty function for the constraints. The simulation with such a method can be done by using a conventional, unconstrained solver only with the penalty parameter increased in an appropriate manner as the simulation proceeds. More specifically, we scale the constraints with their force constants when forming the penalty terms.

By:  
Imprint:   Xlibris Us
Dimensions:   Height: 216mm,  Width: 216mm,  Spine: 10mm
Weight:   376g
ISBN:   9781984535870
ISBN 10:   1984535870
Pages:   146
Publication Date:  
Audience:   General/trade ,  ELT Advanced
Format:   Paperback
Publisher's Status:   Active

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