On the narrative form of simulations

Area of Science:

• * Physical Chemistry and Computational Science
• * Organic Chemistry
• * Philosophy of Science

Background:

• * Scientific simulations, particularly dynamic models, often generate temporal narratives for understanding complex physical systems.
• * The Diels-Alder reaction is a fundamental process in organic chemistry frequently studied using simulations.
• * Understanding the role of time and possibility in scientific understanding is a key challenge.

Purpose of the Study:

• * To explore the narrative character of scientific simulations in understanding physical processes.
• * To analyze how simulations of the Diels-Alder reaction mirror aspects of historical narrative understanding.
• * To investigate the contribution of temporal development and possibility to scientific comprehension.

Main Methods:

• * Comparative analysis of scientific simulations with established theories of historical narrative.
• * Application of concepts such as 'followability,' 'contingency,' 'synoptic judgment,' and 'temporal dialectic' to simulation understanding.
• * Examination of the Diels-Alder reaction simulations through the lens of narrative theory.

Main Results:

• * Simulations of the Diels-Alder reaction exhibit narrative qualities, mirroring historical accounts.
• * Concepts from narrative theory, including Gallie's 'followability' and 'contingency,' Mink's 'synoptic judgment,' and Ricoeur's 'temporal dialectic,' are applicable to understanding simulations.
• * The interplay between the actual and the possible, as discussed by Hawthorn, is illuminated through simulation narratives.

Conclusions:

• * Viewing simulations as narratives enhances the understanding of temporal dynamics in physical systems.
• * Narrative frameworks provide valuable tools for grasping the complexities of scientific simulations.
• * Considering possibility alongside temporal development deepens the comprehension of physical processes.