The Massively Parallel Quantum Chemistry Program. MPQC is the Massively Parallel Quantum Chemistry Program. It computes properties of atoms and molecules from first principles using the time independent Schrödinger equation. It runs on a wide range of architectures ranging from single many-core computers to massively parallel computers. Its design is object oriented, using the C++ programming language.
References in zbMATH (referenced in 1 article )
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- Dahlke, Stephan (ed.); Dahmen, Wolfgang (ed.); Griebel, Michael (ed.); Hackbusch, Wolfgang (ed.); Ritter, Klaus (ed.); Schneider, Reinhold (ed.); Schwab, Christoph (ed.); Yserentant, Harry (ed.): Extraction of quantifiable information from complex systems (2014)
Further publications can be found at: http://www.mpqc.org/pub.php