TMCS hackathon 2018

Stories from a PhD in Computational Chemistry

It’s been a year since the first blog post about the TMCS hackathon 2017. This year, Dave, Mike, Lars and I went back to Oxford to teach the same software development course for the Theory and Modelling in the Chemical Sciences (TMCS) master students.

The course runs over 4 days, where the first 2 are focused on teaching the basics of python, object oriented programming, IDEs, git, etc. The material for this course can be found on github. In the last 2 days, the students are split over 3 groups and have to work on a small project. All three projects this year involved neural networks, since they are a hot topic in our research group.

Screen Shot 2018-06-05 at 08.18.17 Best git tutorial I ever found on the internet. Check it out here!

My group focused again on fitting a potential energy surface for a cyano radical reacting with a…

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