Automating device data analysis

Lately, there have been some efforts to incorporate machine learning in experimental measurements, which are generally quite known in the community, and especially the quantum one (see here for example). While these types of work are currently ‘hot’, I decided to do a small post here about the small cousin of ML, which is automation. That is: Extracting information from large datasets of experiments.

This came about from my recently published work done at Grenoble, in which I had the chance to work with a large number of well-organized experiments. And I think it goes nicely with my previous post which is about automation in materials simulation.

Here, instead, I will present some common methods of extracting pinch-off voltages using Python. I did a previous post on a similar subject. Together they can be quite handy for extracting information fast from 1D data. Of course, they can be generalized for 2D also, but the here we focus on device measurements and not spectroscopy. In fact, for the 2D plots I analysed, I handled them as a list of 1D data, so I applied immediately similar routines, instead of 2D ones.

My experience with aiida

Me and aiida go way back, but sadly, I never got the opportunity to use it extensively until now. Lately, as I got more exposure, I feel the same as the first time I started experimenting with it: Lost!

I decided to do this post, not to do criticism – if anything, I am the last person to do it, as I have one or two repos that I need to find the time to finish documenting. I just like the idea and its purpose and would like to talk about it as a user, so that you don’t feel alone. Since it’s changing versions fast, it’s quite possible the issues I point out here will be solved soon.

If someone doesn’t know of what aiida is, it is an automation software than lets you run multiple simulations, read the outputs, adjust, re-run and basically it is like a little robot that does a lot of the boring work for you, while it’s fairly updated on new methods and algorithms (check this example).