Description 
1 online resource (xvii, 254 pages) : illustrations 
Series 
Lecture notes in physics, 16166361 ; v. 856 

Lecture notes in physics ; 856. 00758450

Contents 
Introduction  A Stochastic Model for the Description of Surface Reaction Systems  Kinetic Monte Carlo Algorithms  How to Get Kinetic Parameters  Modeling Surface Reactions I  Modeling Surface Reactions II  Examples  New Developments 
Summary 
Kinetic Monte Carlo (kMC) simulations still represent a quite new area of research, with a rapidly growing number of publications. Broadly speaking, kMC can be applied to any system describable as a set of minima of a potentialenergy surface, the evolution of which will then be regarded as hops from one minimum to a neighboring one. The hops in kMC are modeled as stochastic processes and the algorithms use random numbers to determine at which times the hops occur and to which neighboring minimum they go. Sometimes this approach is also called dynamic MC or Stochastic Simulation Algorithm, in particular when it is applied to solving macroscopic rate equations. This book has two objectives. First, it is a primer on the kMC method (predominantly using the latticegas model) and thus much of the book will also be useful for applications other than to surface reactions. Second, it is intended to teach the reader what can be learned from kMC simulations of surface reaction kinetics. With these goals in mind, the present text is conceived as a selfcontained introduction for students and nonspecialist researchers alike who are interested in entering the field and learning about the topic from scratch 
Analysis 
Physics 

Chemistry 

Surfaces (Physics) 

Surface and Interface Science, Thin Films 

Surfaces and Interfaces, Thin Films 

Theoretical and Computational Chemistry 

Numerical and Computational Physics 
Bibliography 
Includes bibliographical references and index 
Notes 
Online resource; title from PDF title page (SpringerLink, viewed March 21, 2014) 
Subject 
Monte Carlo method.

Form 
Electronic book

ISBN 
9783642294884 (electronic bk.) 

364229488X (electronic bk.) 

3642294871 

9783642294877 
