Computational aspects of many-body potentials

We discuss the relative complexity and computational cost of several popular many-body empirical potentials, developed by the materials science community over the past 30 years. The inclusion of more detailed many-body effects has come at a computational cost, but the cost still scales linearly with...

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Veröffentlicht in:	MRS bulletin 2012-05, Vol.37 (5), p.513-521
Hauptverfasser:	Plimpton, Steven J., Thompson, Aidan P.
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied and Technical Physics Architecture (computers) Atomic properties Benchmarking Characterization and Evaluation of Materials Communities Computation Computational efficiency Computing costs Energy Materials Materials Engineering Materials Science Molecular dynamics Nanotechnology Serials Supercomputers Three Decades of Many-Body Potentials in Materials Research
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