Download MPQC 4.0 Massively Parallel Quantum Chemistry program

November 17, 2021| Chemist
Download MPQC

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.

Download MPQC

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Categories: Chemistry Software

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