Car-Parrinello

Car-Parrinello Quantum Molecular Dynamics

Introduction I have another repository on GitHub. I decided to have one where I’ll put python code for computational physics issues that are simpler / less complete than the code for the C++ projects. I’ll put there both jupyter notebooks and python scripts. At this moment there are only two of them, hopefully I’ll add … Read more

Boron with STO6G

Variational Quantum Monte Carlo

Introduction   I’ll try to describe here briefly another project I have on GitHub1. There will not be much except links, but hopefully those will be useful. The project is far from being perfect, the simple averaging used there for example could be improved, as there are autocorrelations that one should be aware of, but … Read more

Simulation

Epidemic

Introduction This is a very brief post, with a simulation written in javascript. It’s a very simple model of how a dissease can spread into a population. You may get the code, adjust the parameters and watch different outcomes. The idea of this project came from this: Why outbreaks like coronavirus spread exponentially, and how … Read more

Cu band structure

Korringa–Kohn–Rostoker method

Introduction As I mentioned in the previous post, I already have a project on KKR on GitHub1. I won’t add here a lot of description, I’ll point you some references instead. Usually I also try to add links to some other projects that are small enough to be comprehensible in a reasonable time, this time … Read more