By Peter Deuflhard, Jan Hermans, Benedict Leimkuhler, Alan E. Mark, Sebastian Reich, Robert D. Skeel
On could 21-24, 1997 the second one foreign Symposium on Algorithms for Macromolecular Modelling was once 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 computing device scientists engaged on the development of algorithms, for a complete of over one hundred twenty contributors from 19 international locations. throughout the symposium, the audio system agreed to supply a consultant quantity that mixes survey articles and unique papers (all refereed) to provide an impact of the current state-of-the-art of Molecular Dynamics. The 29 articles of the e-book replicate the most issues of the Berlin assembly that have been i) Conformational Dynamics, ii) Thermodynamic Modelling, iii) complex Time-Stepping Algorithms, iv) Quantum-Classical Simulations and speedy strength box and v) speedy strength box overview.
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