Our goal is to develop a quantum chemistry code using modern CPU, GPGPU, and Intel MIC architectures. The code will be able to optimize molecular structures (ground and transition states) and compute molecular properties at the Kohn-Sham density functional theory self-consistent field level. We will distribute executables for Linux, Mac, and Windows, free of charge to the scientific community. This code builds on XCint and XCFun developments. We are working long days and late nights to be able to ship the first version in 2015.

Valinomycin structure