Interesting. You might be the first computational chemist I know who actually uses Rust. I know a lot of computational chemists!

Python is the big one, all of the aforementioned chemists are either intermediate or advanced in that. The runner-up seems to be Julia, which I personally have no experience with. The big guys are Fortran and C++. I prefer C for tasks of this nature, but I also shill Scheme so don't listen to my opinions on programming languages.

Best of luck on your computational chemistry endeavours!