Classical Approach to Constrained and Unconstrained Molecular Dynamics
Author:   Ajith Gunaratne
Publisher:   Xlibris Us
ISBN:  

9781984535870


Pages:   146
Publication Date:   21 July 2018
Format:   Paperback
Availability:   Available To Order   Availability explained
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Classical Approach to Constrained and Unconstrained Molecular Dynamics


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Overview

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.

Full Product Details

Author:   Ajith Gunaratne
Publisher:   Xlibris Us
Imprint:   Xlibris Us
Dimensions:   Width: 21.60cm , Height: 1.00cm , Length: 21.60cm
Weight:   0.376kg
ISBN:  

9781984535870


ISBN 10:   1984535870
Pages:   146
Publication Date:   21 July 2018
Audience:   General/trade ,  General
Format:   Paperback
Publisher's Status:   Active
Availability:   Available To Order   Availability explained
We have confirmation that this item is in stock with the supplier. It will be ordered in for you and dispatched immediately.

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