Software

Chronus Quantum is an ab initio computational chemistry software package that focuses on explicitly time-dependent and unconventional post-SCF quantum mechanical methods.

Through this SciDAC partnership, we are developing time-dependent and relativistic formulations of the equation-of-motion coupled-cluster and multireference configuration interaction methods in Chronus Quantum, and we are designing our codes such that they can be deployed in massively-parallel computing environments. To this end, our codes rely on the scalable tensor framework TiledArray.

---