Computational molecular sciences and free software (and free information)
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This is a concept that has annoyed many a newcomer to Python - including the author of this post. I will be talking briefly about this concept in my lecture next Thursday, and the excellent TA, +Jimmy Charnley Kromann, pointed me to an example he saw on pythontutor....
I've started using Numba to speed up MD simulations for our course in Molecular Statistics, which I teach together with +Jan Jensen and +Jimmy Charnley Kromann.One exercise is using the Velo-Verlet algorithm to simulate a Lennard-Jones gas/liquid with periodic...
I am currently teaching the Molecular Statistics course together with +Jimmy Charnley Kromann and +Jan Jensen at the University of Copenhagen. My part of the course is teaching the students how to program simple molecular simulation algorithms in Python. +Jan...
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This is a concept that has annoyed many a newcomer to Python - including the author of this post. I will be talking briefly about this concept in my lecture next Thursday, and the excellent TA, +Jimmy Charnley Kromann, pointed me to an example he saw on pythontutor....
I've started using Numba to speed up MD simulations for our course in Molecular Statistics, which I teach together with +Jan Jensen and +Jimmy Charnley Kromann.One exercise is using the Velo-Verlet algorithm to simulate a Lennard-Jones gas/liquid with periodic...
I am currently teaching the Molecular Statistics course together with +Jimmy Charnley Kromann and +Jan Jensen at the University of Copenhagen. My part of the course is teaching the students how to program simple molecular simulation algorithms in Python. +Jan...