Multiscale modeling and simulation

Weinan, E. Vanden-Eijnden, E., in Multiscale Modelling and Simulation, LNCSE 39, 2004 (chapter Metastability, conformation dynamics, and transition pathways in complex systems)... 

Obviously, the spectrum of mesoscale, particle-based tools is too vast to be covered in a single paper. Therefore, in this and the subsequent sections, I mainly elaborate on MC methods to illustrate various aspects of multiscale modeling and simulation. Below, the modeling hierarchy for stochastic well-mixed chemically reacting systems is first outlined, followed by a brief introduction to MC methods. 

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... 

I. Horenko, E. Dittmer, A. Fischer, and C. Schiitte, Automated model reduction for complex systems exhibiting metastability. Submitted to Multiscale Modeling and Simulation... 

Cagin, T. Wang, G Martin, R. Zamanakos, G. Vaidehi, N. Mainz, D. T. Goddard, W. A., Multiscale modeling and simulation methods with applications to dendritic polymers, Comp Theor. Polym. Sci. 2001, 11, 345-356... 

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

T.C. Moore C.R. lacovella C. McCabe Vanderbilt University Center for Multiscale Modeling and Simulation (MuMS), Nashville, TN 37235, USA... 

As we review and demonstrate above, multiscale modeling and simulation have achieved significant progresses in the past 20 years and helped to better understand, analyze, and optimize microfiuidics and nanofiuidics. However, there are still several imperative and important tasks to solve in the next 10 years, some of which are listed as follows ... 

Cagin T et al (2001) Multiscale modeling and simulation methods with applications to dendritic polymers. Comput TheorPolym Sci ll(5) 345-356... 

The ultimate goal of multiscale modeling and simulation is to produce a global framework for system-level analyses of processes and phenomena relevant to human scales that are governed by phenomena occurring at much finer length and time scales. 

Villa, E., A. Balaeff, L. Mahadevan, and K. Schulten. 2004. Multi-scale method for simulating protein-DNA complexes. Multiscale Modeling and Simulation 2(4) 527-553. 

Zeng QH, Yu AB, Lu GQ (2008) Multiscale modeling and simulation of polymer nanocomposites. Prog Polym Sci 33 191... 

Figure 3.1 Multiscale modeling and simulation techniques for polymer nanocomposites.

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