Order large-scale simulation

Considering the long travel times (on the order of 10 000 years) in combination with peak temperatures at 100 years, seems to indicate that the need for full THM coupling in large scale simulations is not critical, in comparison to the intrinsic hydraulic uncertainties. 

In order to bridge the gap between accurate quantum methods that can only be applied to comparatively small systems and large-scale simulations which... 

Normal mode analysis exists as one of the two main simulation techniques used to probe the large-scale internal dynamics of biological molecules. It has a direct connection to the experimental techniques of infrared and Raman spectroscopy, and the process of comparing these experimental results with the results of normal mode analysis continues. However, these experimental techniques are not yet able to access directly the lowest frequency modes of motion that are thought to relate to the functional motions in proteins or other large biological molecules. It is these modes, with frequencies of the order of 1 cm , that mainly concern this chapter. 

Accident simulation Large-scale accidents normally cannot be staged for experimental purposes. It is impossible to put a building on fire in order to see how smoke spreads. In this case, numerical simulation is the sensible approach. 

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