JuliaMolSim

Your friendly organisation about molecular simulations in Julia. We're currently working on setting up this website.

Projects

Feel free to have a look at some of our projects:

  • ACE.jl: Atomic cluster expansion in Julia

  • DFTK.jl: A flexible code for density-functional theory simulations

    • asedftk: DFTK-compatible calculator interface for the Atomic Simulation Environment (ASE).

  • Molly.jl: Molecular simulation in Julia

  • JuLIP.jl: Julia Library for Interatomic Potentials

  • Libxc.jl: Julia bindings to the libxc library for exchange-correlation functionals

Slack channel

Get involved in ongoing conversations by joining our Slack workspace!

Virtual meetings

The "kickoff" will be the BoF session at 2021 JuliaCon. Make sure you're registered for the conference (free!) and please join us there!

If you missed it you can find the notes on github.