Modelling Molecular Self-Organisation

Name: Modelling Molecular Self-Organisation
Brand: LAP Lambert Academic Publishing
SKU: 9783843382847
Price: 50.88 EUR
Availability: InStock

computational techniques for the study of self-organising chemical systems

Autor: Sara Fortuna

Jazyk:

Väzba: Brožovaná

Vydavateľ: LAP Lambert Academic Publishing

Dostupnosť: Skladom u dodávateľa

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50.88 €

The study of self-organising chemical systems merges together concepts and techniques from different...

Informácie o knihe

Autor

Sara Fortuna

Jazyk

Angličtina

Väzba

Kniha - Brožovaná

Vydalo

2010

Stránok

160

EAN

9783843382847

Enbook ID

06937871

Vydavateľ

LAP Lambert Academic Publishing

Hmotnosť

256

Rozmery

150 x 220 x 10

Kompletný popis

The study of self-organising chemical systems merges together concepts and techniques from different fields. This book focuses on those in use in soft matter and complexity science, which are introduced after a short review of the current nanotechnological applications of molecular self-assembly and the main problems encountered in modelling the self-organised behaviour of chemical systems. The attention is on Monte Carlo (MC) based methods. The MC method is first applied to two systems of experimental interest, showing that simplified models are able to reproduce the experimental observations, and predict phase diagrams and bonding motif. Follows the description of our new Agent Based (AB) algorithm for the study of molecular self-organisation. The AB algorithm, which can include elements of artificial intelligence and is traditionally used for the study of complex systems, is capable of driving the system towards a lowest energy con guration with respect to traditional MC methods. Finally, it is shown how the AB algorithm can be used as a part of the protocol to calculate the phase diagram of a rigid organic molecule with less computational effort than standard techniques.

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Modelling Molecular Self-Organisation

computational techniques for the study of self-organising chemical systems

Informácie o knihe

Kompletný popis

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Zákazníci, ktorí si kúpili túto knihu, kúpili tiež