Optimization of Coarse-Grained Interaction Potential: Inside Inherent Limitations of Coarse-Graining Methods
We studied the inherent limitations of coarse-grained (CG) potentials within the recently developed approach (Kowalczyk et al. J. Phys. Chem. B2009, 113, 12988–12998). For all studied fluids, the spherically symmetric CG potential constructed according to our scheme modified in this work balances th...
| Main Authors: | , , |
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| Format: | Journal Article |
| Published: |
American Chemical Society
2011
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| Online Access: | http://hdl.handle.net/20.500.11937/29047 |