Computer Simulation : Meat and Potatoes of Scientific Computing


© Adam Hughes

In recent years, computer simulation has become an increasingly important tool in nearly every area of scientific endeavor. The computational scientist, once struggling to prove that his contributions had merit at all, is becoming ever more relied upon to treat problems that simply can't be approached experimentally due to time, space, or other logistical limitations. In this article, we'll take a look at the basic components of computer simulation in the sciences and lightly touch on some of the specific applications being made in the various disciplines. The goals of scientists setting out to do computer simulation can vary widely. Maybe an experimentalist has done a volume of work trying to ascertain a reliable measure of some physical property of a material. Having performed an experiment many times and also having read the literature on the subject, he is unable to pin down a consistent result. In this case, he may turn to first-principles and use simulation as a way to guide him in the right direction in terms of tuning his experimental setup. In another scenario, a sociology researcher may want to predict the average blood cholesterol of a population based on environmental changes that are likely to occur in the next few millenia. In this case, obviously, the scientist can't hold his subjects to experimental scrutiny, and so he must in some way model what he hopes to study. Under these conditions, simulation forms the entire "experiment" used to reach a conclusion. While the two researchers discussed above use simulation to varying degrees and with different expectations, some similarities in their methods persist. First, and most obvious, is the fact that both scientists must employ a model for the aspect of reality they wish to examine. The models employed by computational scientists rely on physical and mathematical laws to construct a virtual representation of the system of interest. This reliance on physics and math leads to the second similarity, namely the formulation of some sort of approximation. For you see, except in certain very simple cases, these laws become so complicated that they can't be applied in a straightforward manner to reach the desired result. Aside from the special problems where so-called analytical solutions are possible, then, scientists must devise ways around the technical difficulties which arise. These "tricks" have varying degrees of validity and will doubtless be discussed in more depth in a future piece. Having outlined the basics of scientific computer

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