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physics.comp-ph2018
Equivalence of the equilibrium and the nonequilibrium molecular dynamics methods for thermal conductivity calculations: From bulk to nanowire silicon
Haikuan Dong, Zheyong Fan, Libin Shi +2
Molecular dynamics simulations play an important role in studying heat transport in complex materials. The lattice thermal conductivity can be computed either using the Green-Kubo…
physics.comp-ph2012★ 28 cited
Computational Physics on Graphics Processing Units
Ari Harju, Topi Siro, Filippo Federici-Canova +2
The use of graphics processing units for scientific computations is an emerging strategy that can significantly speed up various different algorithms. In this review, we discuss ad…