When can a Computer Simulation act as Substitute for an Experiment? A Case-Study from Chemisty
Johannes Kästner and
Eckhart Arnold
Table of Contents
When can a Computer Simulation act as Substitute for an Experiment: Table of Contents
1 Introduction
2 Similarities and Differences between Simulations and Experiments
2.1 Similarities of Simulations and Experiments
2.2 Differences between Simulations and Experiments
3 Case Study: Simulation of H-2-Formation in Outer Space
3.1 Introductory Remarks on Simulations in Chemistry
3.2 The Role of Quantum Mechanics as Comprehensive Background Theory
3.3 The Motivation for Simulating the H-2-Formation in Outer Space
3.4 Modeling Techniques and their Credentials
3.4.1 Abstractions
3.4.2 Modeling Techniques
3.4.3 Validation
3.5 Experiment-likeness
4 Summary and Conclusions
Bibliography
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