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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
1

Monte Carlo Simulations for Chemical Systems

Rönnby, Karl January 2016 (has links)
This thesis investigates dierent types of Monte Carlo estimators for use in computationof chemical system, mainly to be used in calculating surface growthand evolution of SiC. Monte Carlo methods are a class of algorithms using randomsampling to numerical solve problems and are used in many cases. Threedierent types of Monte Carlo methods are studied, a simple Monte Carlo estimatorand two types of Markov chain Monte Carlo Metropolis algorithm MonteCarlo and kinetic Monte Carlo. The mathematical background is given for allmethods and they are tested both on smaller system, with known results tocheck their mathematical and chemical soundness and on larger surface systemas an example on how they could be used

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