MPQC software free download is a Massively Parallel Quantum Chemistry program computes properties of atoms and molecules from first principles using the time independent Schrodinger equation. (MPQC) platform is a research package for ab initio simulation of the electronic structure of molecules and periodic solids, with primary focus on many-body electronic structure methods, such as coupled-cluster.
The current 4.0 version of the package, sometimes referred to as MPQC4, is a modern reenvisioning of the conceptual design of the original MPQC platform using the massively-parallel tensor framework TiledArray, distributed task-based programming model and runtime MADWorld, and the Gaussian integrals library Libint.
