Giovani Rech

2 Questions 3 Answers 0 Followers

Questions related from Giovani Rech

How can I numerically calculate the covariance matrix of the fitted parameters of a model?

I used differential evolution to determine the interatomic potential parameters of a model by minimizing a objective function that is the sum of the squared difference of experimental and...

30 August 2018 587 4 View

Should the cell volume be the same using Molecular Dynamics and Free-Energy Minimization?

I'm using GULP to test an interatomic potential for a ceramic material. I'm interested in describing how the volume of the unit cell changes with temperature. I've used GULP to minimize de...

22 May 2018 2,170 3 View