Abstract
Molecular Dynamics will see important developments in the next decade in two directions: Methods and Instrumentation. The combination of improvements in both aspects will probably lead to applications to realistic complex molecular systems over time scales many orders of magnitude longer than are presently attainable. Accurate simulations of complex molecular liquids into the nanosecond range will become commonplace. Applications may include catalysis and behaviour of biological macromolecules, leading to catalyst and drug design.
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Data partially from R.W. Hockney, Reading
partly based on NATO Workshop on “High-Speed Computation”, Jülich, Germany, June 1983 (to be published by Springer Verlag, J.S. Kowalski, editor)
A: F. Bakker, C. Bruin, F. van Dieren and H.J. Hilhorst, Phys. Lett. 93A (1982) 67
A.F. Bakker, Thesis, Technical University Delft, Sept. 1983.
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© 1984 D. Reidel Publishing Company
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Berendsen, H.J.C. (1984). Survey of Future Developments in Molecular Dynamics. In: Barnes, A.J., Orville-Thomas, W.J., Yarwood, J. (eds) Molecular Liquids. NATO ASI Series, vol 135. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-6463-1_19
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DOI: https://doi.org/10.1007/978-94-009-6463-1_19
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