Searching for Truth with Computational Modelling? Book chapter published

This month Theory Choice in the History of Chemical Practices will be published by Springer, containing my chapter on computational modelling.

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In the chapter I discuss motivations for the use – and rejection – of computational modelling by the chemistry community and explore some of the philosophical background that underpins the practice’s absorption by the chemical community. In brief, I draw a line around validation versus verification – trying to find answers about a real life system using a series of abstractions, where the abstractions, the choices in model, and the mathematical validity of the model all come into play.

These accumulated uncertainties – and extreme reductionism – are the drivers for the discomfort some researchers find when encountering computational modelling in their field. As I’ve written in the past, the arguments I make are transferrable across many disciplines where modelling is applied – from neuroscience to global systems science.

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