I will review some fundamental aspects of atomistic simulations in high-pressure research, including the construction of the interatomic potentials and the basic methods to sample the constant-pressure and constant-temperature statistical ensemble. I will also present a couple of examples where such methods have been used to describe materials of planetary interest. © 2010 Springer Science+Business Media B.V.
CITATION STYLE
Scandolo, S. (2010). First-principles molecular dynamics and applications in planetary science. NATO Science for Peace and Security Series B: Physics and Biophysics, 353–356. https://doi.org/10.1007/978-90-481-9258-8_28
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