I was wondering if there are any Theoretical & Computational Chemistry (MM, QM) codes or publications out there that are based primarily on the Julia programming language?
It's an entire programming language with a large community, so it's pretty much impossible to dig up all examples of its usage in these fields, but I can point to a few resources to get you started. These are ones that come to mind, but note I'm not a theoretical or quantum chemist so I am not very familiar with this area.
- QuantumOptics.jl has a community around QO modeling and research.
- DiffEqBiological.jl is a chemical reaction network DSL for SDEs, ODEs, and continuous-time Markov chains.
- Molly.jl is a molecular dynamics engine.
- HomotopyContinuation.jl is made by a bunch of chemists IIRC for fast bifurcation analysis on polynomial systems.
- Yao.jl is for quantum algorithms.
Lots of publications that use Julia cite the Julia paper (but not all of course), so a Google Scholar citation search might be helpful with this as well.