@article {4557,
	title = {A model-integrated computing approach to nanomaterials simulation},
	journal = {Theoretical Chemistry Accounts},
	volume = {132},
	number = {1},
	year = {2012},
	month = {12/2012},
	author = {Christopher R. Iacovella and Gergely Varga and Sallai, Janos and Siladitya Mukherjee and Ledeczi, Akos and Peter T. Cummings}
}
