dataset · Figshare · 2024

Green-Kubo Molecular Dynamics Parallel Tempering for ZnO

Garibay Alonso, Raul, Mixteco Sanchez, Juan Carlos, Alonso Herrera, Christian Amadeo

Cited by 0Open access

Abstract

The thermal conductivity of wurtzite ZnO is determined by using molecular dynamics simulation and the auto-correlation measurements Green-Kubo theory. The simulation dynamics are carried out by using the parallel tempering thermostating methodology which avoids or reduce potential ergodicity problems.

Cite this paper

APA 7

Garibay Alonso, R., Mixteco Sanchez, J. C., & Alonso Herrera, C. A. (2024). Green-Kubo Molecular Dynamics Parallel Tempering for ZnO. Figshare. https://doi.org/10.6084/m9.figshare.25607934.v1

MLA 9

Garibay Alonso, Raul, et al. “Green-Kubo Molecular Dynamics Parallel Tempering for ZnO.” Figshare, 2024, https://doi.org/10.6084/m9.figshare.25607934.v1.

Chicago

Garibay Alonso, Raul, Juan Carlos Mixteco Sanchez, and Christian Amadeo Alonso Herrera. 2024. “Green-Kubo Molecular Dynamics Parallel Tempering for ZnO.” Figshare. https://doi.org/10.6084/m9.figshare.25607934.v1.

Harvard

Garibay Alonso, R., Mixteco Sanchez, J.C. and Alonso Herrera, C.A. (2024) ‘Green-Kubo Molecular Dynamics Parallel Tempering for ZnO’, Figshare. Available at: https://doi.org/10.6084/m9.figshare.25607934.v1.

BibTeX

@misc{garibayalonso2024green,
  title = {{Green-Kubo Molecular Dynamics Parallel Tempering for ZnO}},
  author = {Garibay Alonso, Raul and Mixteco Sanchez, Juan Carlos and Alonso Herrera, Christian Amadeo},
  journal = {Figshare},
  year = {2024},
  doi = {10.6084/m9.figshare.25607934.v1}
}

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