Computational multiscale modeling

Taufer. M.. Armen, R., Chen, J.,Teller, P., and Brooks, C. (2009) Computational multiscale modeling in protein-ligand docking. IEEE Engineering in Medicine and Biology Magazine, 28, 58—69. 

D. Nickerson, M. Nash, P. Nielsen, N. Smith, and P. Hunter, Computational multiscale modeling in the lUPS Physiome Project modeUng cardiac electromechanics, IBM Journal of Research and Development, vol. 50, 2010, pp. 617-630. 

V. Belsky et al Computer-aided multiscale modeling tools for composite materials and structures. Comp. Syst. Eng. Int. J. 6, 213-223 (1995)... 

Science in 2004 that have been dedicated to Complex Systems and Multi-scale Methodology, the forth issue of the 29th volume in Computers in Chemical Engineering on Multiscale Simulation published in 2005, the Springer-Verlag IMA edited book on Dispersive Transport Equations and Multiscale Models resulting from a related workshop, numerous workshops, and a topical conference on Multiscale Analysis in the 2005 AIChE meeting, just to mention a few. 

One of the difficulties in performing SA of stochastic or more generally multiscale models is that a closed form equation does not often exist. As a result, brute force SA has so far been the method of choice, which, while possible, is computationally intensive. As suggested in Raimondeau et al. (2003), since the response obtained is noisy, one has to introduce relatively large perturbations to ensure that the responses are reliable, so that meaningful SA results are obtained. For most complex systems, local SA may not be feasible. However, I do not see this being an impediment since SA is typically used to rank-order the... 

An essential part of a successful multiscale modelling strategy will be to use several scales in one simulation, where the decisions about the required level of modelling are taken by the computer and not by human intervention. This will require considerable computer science input. Despite this increasing complexity appropriate modelling will remain important, i.e. distilling the essentials of behaviour at each length scale. 

J. Butter (2004) Large Scale Density Functional Calculations. In Multiscale Modelling and Simulation, eds. S. Attinger and P. Koumoutsakos Springer, Beidelberg. Lecture Notes in Computational Science and Engineering, p. 39... 

Multiscale Modeling and Simulation-volume 39 of Lecture Notes in Computational Science and Engineering Springer-Verlag Berlin, Heidelberg,... 

---