Molecular Dynamics: Theory, Kinetics and Implementation (Chemical Engineering Methods and Technology: Computer Science, Technology and Applications)

ISBN 10: 1620815451 / ISBN 13: 9781620815458

Published by Nova Novinka, 2012

About this Item

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Bibliographic Details

• Title: Molecular Dynamics: Theory, Kinetics and Implementation (Chemical Engineering Methods and Technology: Computer Science, Technology and Applications)
• Publisher: Nova Novinka
• Publication Date: 2012
• Language: English
• ISBN 10: 1620815451
• ISBN 13: 9781620815458
• Binding: Soft cover
• Condition: New

About this title

Synopsis

Molecular dynamics (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. This book presents current research on the theory, kinetics and implementation of molecular dynamics. Topics discussed in this compilation include the molecular dynamics of proteins; molecular dynamics simulations on the extraction of fluid transport properties at the nanoscale; investigation of structural properties of drug-metabolising enzymes using molecular dynamics simulation; double-pulse laser control of ultrafast optical Kerr effect in liquid; ZnO nano-structures for biosensing; and molecular dynamics simulations of liquid and ionic solvation of carbon tetrachloride.