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Classical Approach to Constrained and Unconstrained Molecular Dynamics - Softcover

Gunaratne, Ajith

 
9781984535870: Classical Approach to Constrained and Unconstrained Molecular Dynamics
Softcover
ISBN 10: 1984535870 ISBN 13: 9781984535870
Verlag: Xlibris US, 2018

Inhaltsangabe

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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Verlag
Xlibris US
Erscheinungsdatum
2018
Sprache
Englisch
ISBN 10 
1984535870
ISBN 13 
9781984535870
Einband
Taschenbuch
Anzahl der Seiten
146
Kontakt zum Hersteller
DUMONT
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