How to choose a method to study atomistic diffusion in solids

Different methods to study atomistic diffusion in solids within the framework of First principle calculations are discussed briefly. Good and bad of each method are reviewed so that you can decide for yourself which one will be beneficial for your system.

Some papers discussed in the video are:
1. C. Wert, Phys. Rev (1950), 79, 601-603.
2. G. Vineyard, J. Phys. Chem. (1957),Sol 3, 121-125.
3. C. Wang, Q.M. Zhang, and J. Bernholc, Phy. Rev. Letters (1992), 69, 3789-3792
4. D. Sheppard, R. Terrel, G. Henkelman, J. Chem. Phys. (2008), 128, 134106.
5. Z. Rong, D. Kitchaev, P. Canepa, W. Huang, J. Chem. Phys. (2016), 145, 074112.
6. G. Henkelman, B.P. Uberuaga, H. Jonsson, J. Chem. Phys. (2000), 113, 9901-9907.
7. G. Henkelman, H. Jonsson, J. Chem. Phys. (2000), 113, 9978-9985.
8. E. L. Kolsbjerg, M. N. Groves and B. Hammer, J. Chem. Phys. (2016), 145, 094107.