David Poole
My name is David Poole, and I am a graduate research assistant in Dr. Mark S. Gordon's research group at Iowa State University. I perform research in developing and improving the popular General Atomic and Molecular Electronic Structure System (GAMESS) quantum chemistry software package. These developments include writing code to enable GAMESS to take advantage of Graphics Processing Units (GPUs), and enabling GAMESS to build and run on the most modern high-performance supercomputers. Additionally, I develop and maintain the JuliaChem.jl quantum chemistry software package, which aims to combine high performance with high programming productivity by taking advantage of Julia's features.
Sessions
This talk introduces JuliaChem.jl, a package designed for performing quantum chemistry calculations via electronic structure theory methods. JuliaChem.jl uses Julia’s features to achieve performance similar to established quantum chemistry codes.