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Research School of Chemistry
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This page can show links to 'cool' interesting things available on-line such as software and animations. Breakthroughs in research etc. should probably go under "news" and also under "highlights" under research. These will need to be stories of success, highlighting value and significance of research done by RSC. eg:
Nonequilibrium Molecular Dynamics (NEMD) ProgrammeProf. Denis Evans of the RSC has ported his nonequilibrium molecular dynamics programme NEMD to the Power Macintosh. To download this version by ftp click on NEMD_v.84PPC.sea.hqx Note that NEMD is also available in a Motorola 68K version. To download this version by ftp click on NEMD_v.83.sea.hqx. Science AppsA collection of interactive demonstrations of theoretical models of assorted physical phenomena and related mathematical subjects. The programs are designed to run on the Macintosh. The author is: Prof. D. C. Rapaport Peter J. Daivis has got together some really neat (QuickTime) movies of tridecane. Harold W. Schranz has generated a series of animations for a quantum and classical study of the nonlinear resonance between the symmetric bend and torsion modes in an ABBA type molecule (a model of dimethyl peroxide).
The calculations used an allocation of time on the Fujitsu VP-2200 of the Australian National University Supercomputer Facility (ANUSF) on which the sequences of data for the quantum wavepacket and classical trajectory computer animations were generated. The computer animations were created from the raw data with the able assistance of Roger Edberg of the ANUSF, using AVS version 5 on an SGI Onyx and a DEC 5000/240 platform. See also some further samples visualizations courtesy of the VizLab at the ANUSF.
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Page last updated: 21 February 2006 Please direct all enquiries to: Research School of Chemistry Page authorised by: Director, Research School of Chemistry |
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