Tags: Green Kubo

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  1. 2016 IMECE Tutorials on Phonon Transport Modeling

    Courses | 04 Jan 2017 | Contributor(s):: Alan McGaughey, Xiulin Ruan

    Advances in theoretical methodologies and computational power in the last fifteen years have enabled the prediction of phonon properties with high resolution and fidelity. Notably, the use of molecular dynamics simulations, lattice dynamics calculations, density functional theory calculations,...

  2. Fundamentals of Phonon Transport Modeling L2: MD Simulation, Green Kubo, Direct Method

    Presentation Materials | 04 Jan 2017 | Contributor(s):: Xiulin Ruan, Alan McGaughey

    Part of the 2016 IMECE Tutorial: Fundamentals of Phonon Transport Modeling: Formulation, Implementation, and Applications.