Abstract
Modern theoretical methods, aided by the emergence of increasingly powerful high-speed computing architectures, have advanced to a level such that the microscopic details of chemical processes in condensed phases can now be treated on a relatively routine basis.
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Tzanov, A.T., Tuckerman, M.E. (2014). Computational Techniques for Density Functional Based Molecular Dynamics Calculations in Plane-Wave and Localized Basis Sets. In: Bach, V., Delle Site, L. (eds) Many-Electron Approaches in Physics, Chemistry and Mathematics. Mathematical Physics Studies. Springer, Cham. https://doi.org/10.1007/978-3-319-06379-9_15
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