Abstract
This chapter gives an introduction to the theoretical framework of molecular simulation studies provided by statistical mechanics Molecular simulations are aimed at predicting macroscopic thermophysical properties based on the behavior of the particles contained in the system. The detailed configuration of the system on the molecular level is called a microstate, and statistical mechanics is the theoretical framework that allows for determining macroscopic properties from studying the properties of the microstate.
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Raabe, G. (2017). Introduction to Statistical Mechanics. In: Molecular Simulation Studies on Thermophysical Properties. Molecular Modeling and Simulation. Springer, Singapore. https://doi.org/10.1007/978-981-10-3545-6_2
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DOI: https://doi.org/10.1007/978-981-10-3545-6_2
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