Articles liés à Molecular Dynamics Study of Nano-structures: Investigation...

Molecular Dynamics Study of Nano-structures: Investigation of Mechanical Properties - Couverture souple

Darvish Ganji, Masoud; Memarian, Farzaneh; Dehghan, Maziar

 
9783659925566: Molecular Dynamics Study of Nano-structures: Investigation of Mechanical Properties
Couverture souple
ISBN 10 : 365992556X ISBN 13 : 9783659925566
Editeur : LAP LAMBERT Academic Publishing, 2016

Synopsis

Nowadays, by improving the abilities of computers molecular modeling has become a powerful technique in computational chemistry with ever-increasing practical interests. At the moment, using effective algorithms along with powerful processors enables us to simulate systems including thousands atoms up to several microseconds. However, finding a balance between the computational costs and reliable results still remains a challenge. Two general approaches help us to reveal the behavior of these systems: quantum mechanics and molecular dynamics calculations. Molecular dynamics (MD) studies the motion of a set of interacting atoms, molecules or particles. MD can extract experimental observables from the dynamics of the system by investigating the system motion.

Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.

Présentation de l'éditeur

Nowadays, by improving the abilities of computers molecular modeling has become a powerful technique in computational chemistry with ever-increasing practical interests. At the moment, using effective algorithms along with powerful processors enables us to simulate systems including thousands atoms up to several microseconds. However, finding a balance between the computational costs and reliable results still remains a challenge. Two general approaches help us to reveal the behavior of these systems: quantum mechanics and molecular dynamics calculations. Molecular dynamics (MD) studies the motion of a set of interacting atoms, molecules or particles. MD can extract experimental observables from the dynamics of the system by investigating the system motion.

Biographie de l'auteur

M.D. Ganji is an Associate Professor of Nanochemistry at Islamic Azad University of Pharmaceutical Science in Tehran, Iran. His research interests are nano-scale simulations (DFT, NEGF-DFT, TD-DFT, MD and GCMC).

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Éditeur
LAP LAMBERT Academic Publishing
Date d'édition
2016
Langue
anglais
ISBN 10 
365992556X
ISBN 13 
9783659925566
Reliure
Broché
Nombre de pages
96
Coordonnées du fabricant
non disponible
Personne responsable
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