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Diagnostics and the 'deconstruction' of models

Fisher, Grant (2016) Diagnostics and the 'deconstruction' of models. In: UNSPECIFIED.

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Abstract

This paper argues that a significant focus in computational organic chemistry, alongside the construction and deployment of models, is the “deconstruction” of computational models. This practice has arisen in response to difficulties and controversies resulting from the use of plural methods and computational models to study organic reaction mechanisms. Diagnostic controllability is the capacity of cognitive agents to gain epistemic access to grey-boxed computational models, to identify and explain the impact of specific idealizations on results, and to demonstrate the applicability of computational methods to target systems.


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Item Type: Conference or Workshop Item (UNSPECIFIED)
Creators:
CreatorsEmailORCID
Fisher, Grantfisher@kaist.ac.kr
Keywords: Computational chemistry, Organic chemistry, diagnostics, models
Subjects: Specific Sciences > Chemistry
General Issues > Models and Idealization
Depositing User: Dr. Grant Fisher
Date Deposited: 31 Oct 2016 13:02
Last Modified: 31 Oct 2016 13:02
Item ID: 12573
Subjects: Specific Sciences > Chemistry
General Issues > Models and Idealization
Date: 30 October 2016
URI: https://philsci-archive.pitt.edu/id/eprint/12573

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