Prof. Kadkhodaei presented a talk at TMS 2020 meeting in San Diego!

TMS2020

In this talk, we presented a recently developed ab-initio-based thermodynamic model for free energy calculation of mechanically unstable phases. We also presented the implementation of the model as an automated software toolkit.  For more details see the following articles:

https://doi.org/10.1103/PhysRevB.95.064101

https://doi.org/10.1016/j.cpc.2019.01.008