By Peter Deuflhard, Jan Hermans, Benedict Leimkuhler, Alan E. Mark, Sebastian Reich, Robert D. Skeel
On might 21-24, 1997 the second one foreign Symposium on Algorithms for Macromolecular Modelling used to be held on the Konrad Zuse Zentrum in Berlin. the development introduced jointly computational scientists in fields like biochemistry, biophysics, actual chemistry, or statistical physics and numerical analysts in addition to desktop scientists engaged on the development of algorithms, for a complete of over a hundred and twenty individuals from 19 international locations. during the symposium, the audio system agreed to provide a consultant quantity that mixes survey articles and unique papers (all refereed) to provide an effect of the current state-of-the-art of Molecular Dynamics. The 29 articles of the ebook replicate the most subject matters of the Berlin assembly that have been i) Conformational Dynamics, ii) Thermodynamic Modelling, iii) complex Time-Stepping Algorithms, iv) Quantum-Classical Simulations and quickly strength box and v) speedy strength box assessment.
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