Modelling Molecular Self-Organisation : computational techniques for the study of self-organising chemical systems

Language: English

Published by LAP LAMBERT Academic Publishing, 2010

3843382840 / 9783843382847

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Seller: AHA-BUCH GmbH, Einbeck, GermanyAHA-BUCH GmbH

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nach der Bestellung gedruckt Neuware - Printed after ordering - 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.…

Seller Inventory # 9783843382847

Title
Modelling Molecular Self-Organisation : computational techniques for the study of self-organising chemical systems
Author
Sara Fortuna
Publisher
LAP LAMBERT Academic Publishing
Publication year
2010
Condition
Neu
Binding
Taschenbuch
Language
English
ISBN 10
3843382840
ISBN 13
9783843382847
Item weight
256 grams
Dimensions
220x150x10 mm

AHA-BUCH GmbH

Einbeck, Germany

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AbeBooks seller since August 14, 2006

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