Weishi Wang
Weishi Wang is a Ph.D. student studying quantum chemistry and quantum physics at the department of physics and astronomy at Dartmouth College. His current research interests are classical and quantum computing applications for electronic structure problems.
Session
07-28
10:30
10min
Quiqbox.jl: Basis set generator for electronic structure problem
Weishi Wang
Quiqbox.jl is a Julia package that allows highly customizable Gaussian-type basis set design for electronic structure problems in quantum chemistry and quantum physics. The package provides a variety of useful functions around basis set generation such as RHF and UHF methods, standalone 1-electron and 2-electron integrals, and most importantly, variational optimization for basis set parameters. It supports Linux, Mac OS, and Windows.
JuliaCon
Green