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Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations

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Donadio,  Davide
MP Group Donadio: Theory of Nanostructures and Transport, MPI for Polymer Research, Max Planck Society;

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Fan, Z. Y., Pereira, L. F. C., Wang, H. Q., Zheng, J. C., Donadio, D., & Harju, A. (2015). Force and heat current formulas for many-body potentials in molecular dynamics simulations with applications to thermal conductivity calculations. Physical Review B, 92(9): 094301. doi:10.1103/PhysRevB.92.094301.


Cite as: https://hdl.handle.net/11858/00-001M-0000-0028-5E03-6
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