Molecular Dynamics Study of Nano-structures Investigation of Mechanical Properties
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- Englisch ausgewählt
Fr. 68.90
inkl. gesetzl. MwSt.,
Beschreibung
Produktdetails
Einband
Taschenbuch
Erscheinungsdatum
09.09.2016
Verlag
LAP LAMBERT Academic PublishingSeitenzahl
96
Maße (L/B/H)
22/15/0.7 cm
Gewicht
161 g
Sprache
Englisch
ISBN
978-3-659-92556-6
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.
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