Yesterday, I went to Nancy, France for my CET (comité d’encadrement de thèse) evaluation on my doctoral research. It is no secret that I don’t have much idea why I am doing the peak-detection and spectral decomposition of an input IR spectral data; it was just something I was doing simply because I could do it and the supervisor told me to do so. Now, after some feedbacks from my two CET members; I have a little more idea on why spectrometrists are interested in the spectral decomposition of the signals they get from their samples. At least it felt a bit better knowing that the work I was doing for the past few months are not entirely for null, despite the doubt I have about the entire field.

Some parts of my CET presentation were on our research itself as well. To me, the entire chaos analysis for the molecular dynamics trajectories is just a mathematical exercise that can give a solution to the numerically-given force-field differential equations, but I guess there are some chemically meaningful components in the method. I still have a long way to understand what it is mainly about.

I do wish to use the large deviations theory and stochastic Riemannian geometry to estimate the convergence of the molecular dynamics simulation, but… looks like no one in the chemistry or physics would be interested in learning about it.

The slides for the CET presentation I gave can be found by clicking here