Abstract
Atomistic simulations are recognized worldwide as an important tool for deepening our understanding of the physics, chemistry and mechanics of materials. Formidable efforts are being made in the theoretical, modeling and computational approaches to extend their validity to the complex systems and processes relevant to current technologies as well as to enhance their predictive power. This section reports on recent developments which address the problems of system-size and time scales that are especially critical for ab initio atomistic simulations. In particular, three chapters are devoted to the remarkable advances recently achieved in enhanced sampling methods that are paving the way to the study of the dynamics of complicated transformations and chemical reactions in condensed-matter systems.
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Andreoni, W., Yip, S. (2019). Atomistic Simulations: An Introduction. In: Andreoni, W., Yip, S. (eds) Handbook of Materials Modeling . Springer, Cham. https://doi.org/10.1007/978-3-319-42913-7_91-2
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DOI: https://doi.org/10.1007/978-3-319-42913-7_91-2
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Publisher Name: Springer, Cham
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Latest
Atomistic Simulations: An Introduction- Published:
- 29 August 2019
DOI: https://doi.org/10.1007/978-3-319-42913-7_91-2
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Original
Atomistic Simulations: An Introduction- Published:
- 27 April 2019
DOI: https://doi.org/10.1007/978-3-319-42913-7_91-1