General remarks
Further reading
The lecture material will guide through the basics of the molecular dynamics simulation method. It will give you enough information to complete the associated project. The appendix dives deeper in specific topics. As additional reading material, we recommend the following books:
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Molecular dynamics: Michael P. Allen, Dominic J. Tildeley, Computer simulations of liquids, Oxford University Press - PDF
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Interatomic potentials: Martin H. Müser, Sergey V. Sukhomlinov, Lars Pastewka, Interatomic potentials: Achievements and challenges - Link
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Statistical mechanics: James P. Sethna, Entropy, order parameters, and complexity, Oxford University Press - Link, PDF