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

Fortuna, Sara

9783843382847: Modelling Molecular Self-Organisation: computational techniques for the study of self-organising chemical systems

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ISBN 10 : 3843382840 ISBN 13 : 9783843382847

Editeur : LAP LAMBERT Academic Publishing, 2010

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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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�diteur: LAP LAMBERT Academic Publishing
Date d'�dition: 2010
Langue: anglais
ISBN 10: 3843382840
ISBN 13: 9783843382847
Reliure: Broch�
Nombre de pages: 160
Coordonn�es du fabricant: non disponible
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Modelling Molecular Self-Organisation

Sara Fortuna

Edit� par LAP LAMBERT Academic Publishing Dez 2010, 2010

ISBN 10 : 3843382840 ISBN 13 : 9783843382847

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Taschenbuch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -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. 160 pp. Englisch. N� de r�f. du vendeur 9783843382847

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Modelling Molecular Self-Organisation

Sara Fortuna

Edit� par LAP LAMBERT Academic Publishing, 2010

ISBN 10 : 3843382840 ISBN 13 : 9783843382847

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Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Autor/Autorin: Fortuna SaraSara Fortuna received her PhD in 2010 from the University of Warwick. Member of the Royal Society of Chemistry and the Institute of Physics, she is currently a postdoctoral fellow at Sissa. Her research focuses on the mul. N� de r�f. du vendeur 5468132

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Modelling Molecular Self-Organisation

Sara Fortuna

Edit� par LAP LAMBERT Academic Publishing Dez 2010, 2010

ISBN 10 : 3843382840 ISBN 13 : 9783843382847

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Taschenbuch. Etat : Neu. This item is printed on demand - Print on Demand Titel. Neuware -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.VDM Verlag, Dudweiler Landstra�e 99, 66123 Saarbr�cken 160 pp. Englisch. N� de r�f. du vendeur 9783843382847

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

Sara Fortuna

Edit� par LAP LAMBERT Academic Publishing, 2010

ISBN 10 : 3843382840 ISBN 13 : 9783843382847

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Taschenbuch. Etat : Neu. 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. N� de r�f. du vendeur 9783843382847

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