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Particle based multiscale simulation methods and applications

Particle based mutiscale modelling and simulations are based on the known theory and techniques applied in computational physics, chemistry and biology. In this chapter of the book we will review the current methods to connect/bridge different methods in different length and time scale to address phenomena in multiscale. Mutiscale simulation techniques are useful when large-scale processes are dependent on atomic level (small scale) interactions and mechanisms. There are limitations in computational power and cost; therefore, one needs to create cascade of methods bridged via information e.g., parameters, energies, forces, structure etc. from atomistic to mesoscale or vice versa. As the system gets larger the methods are based on less degree of freedom by eliminated unimportant interactions.

Print publication date: 31 Oct 2012
Copyright year: 2012
Print ISBN: 978-1-84973-412-7
PDF eISBN: 978-1-84973-479-0
From the book series:
SPR - Chemical Modelling