Systematic Coarse-graining and Multiscale Modeling of Soft Matter [PowerPoint Submission]
Keyword(s):
AbstractA multiscale theoretical and computational methodology will be presented for describing liquid state, biomolecular, and nanoparticle systems across multiple length- and time-scales. The approach provides an interface between atomistic molecular simulations, mesoscale dynamics, and continuum mechanics. The underlying methodology couples atomistic-level simulations with mesoscale simulations which, in turn, can be bridged to continuum-level modeling where necessary. A new and systematic multiscale coarse-graining strategy for linking the atomistic-scale interactions to the mesoscale will be the primary focus of the presentation. Applications of the overall methodology will be given.
2009 ◽
Vol 45
(3)
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pp. 709-714
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2014 ◽
Vol 69
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pp. 126-143
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2011 ◽
Vol 21
(12)
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pp. 3465-3475
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Keyword(s):
2007 ◽
Vol 111
(16)
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pp. 4116-4127
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