Name: Classical Approach to Constrained and Unconstrained Molecular Dynamics
SKU: 60541803
Price: 2464.00 TWD
Availability: InStock
Author: Gunaratne, Ajith
ISBN: 9781984535870

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portada Classical Approach to Constrained and Unconstrained Molecular Dynamics

Classical Approach to Constrained and Unconstrained Molecular Dynamics

Type

Physical Book

Author

Ajith Gunaratne

Publisher

Xlibris Us

Language

English

Pages

146

Format

Paperback

Dimensions

21.6x21.6x1 cm

Weight

0.38 kg.

ISBN13

9781984535870

Synopsis "Classical Approach to Constrained and Unconstrained Molecular Dynamics"

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.

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Classical Approach to Constrained and Unconstrained Molecular Dynamics - Gunaratne, Ajith

Synopsis "Classical Approach to Constrained and Unconstrained Molecular Dynamics"

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