I'm a CS PhD student at Cornell.
I work mostly on electronic structure theory and sometimes quantum computing.
I like curry and tacos.
The electronic structure theory is critical for understanding materials, but it has been challenging to develop readable yet efficient electronic structure packages.
WTP.jl identifies a layer of abstractions that simplifies such development through an interface resembling the mathematical notation of the electronic structure theory. Using
WTP.jl, we built another package
SCDM.jl for electron localization with code far more readable than the widely used alternative