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Erschienen in:
1993 | OriginalPaper | Buchkapitel
Quantum Mechanical Programs for Distributed Systems: Strategies and Results
verfasst von : H. Früchtl, P. Otto
Erschienen in: Parallel Computer Architectures
Verlag: Springer Berlin Heidelberg
Enthalten in: Professional Book Archive
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The knowledge about structure and functionality of chemical systems not only allows the verification of physical and chemical mechanisms but also gives the opportunity of proposing new materials with selected new properties. For investigations on molecular level quantum mechanical methods have to be used. Reliable calculations on molecules and macromolecules require the use of high performance computers. The development of massively parallel computer systems opens the possibility of doing calculations on larger and more realistic chemical structures.