Modeling growth of 60-unit shells in solution: Early results

D. C. Rapaport

Research output: Contribution to journalArticlepeer-review


Current research into supramolecular assembly using molecular dynamics simulation is summarized. Ongoing simulations are aimed at exploring the nature of the growth pathways of larger shells than considered previously, under reversible bonding conditions and in the presence of an explicit solvent.

Original languageEnglish
Pages (from-to)119-123
Number of pages5
JournalPhysics Procedia
StatePublished - 2010


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