Abstract
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.
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© 1993 Springer-Verlag Berlin Heidelberg
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Früchtl, H., Otto, P. (1993). Quantum Mechanical Programs for Distributed Systems: Strategies and Results. In: Bode, A., Dal Cin, M. (eds) Parallel Computer Architectures. Lecture Notes in Computer Science, vol 732. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-21577-7_19
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DOI: https://doi.org/10.1007/978-3-662-21577-7_19
Publisher Name: Springer, Berlin, Heidelberg
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