The Computational Materials Design Facility is a "simulation framework that allows multi-scale multi-paradigm simulations of complex materials phenomena that operate on different length- and time scales. The method is based on a generic within a Python scripting environment, with the objective to enable complex multi-scale simulation tasks encompassing various simulation paradigms, such as quantum mechanics, reactive force fields, empirical force fields and continuum descriptions of materials."

This website provides a description of CMDF along with downloadable reference papers including:
M.J. Buehler, J. Dodson, Adri C.T. van Duin, P. Meulbroek, W.A. Goddard III, "The Computational Materials Design Facility (CMDF): A powerful framework for multi-paradigm multi-scale simulations," Mat. Res. Soc. Proceedings (Combinatorial Methods and Informatics in Materials Science), Vol. 894, LL3.8, 2006.

Citation: "Computational Materials Design Facility (CMDF) - A Python based multi-paradigm simulation environment," MIT, Copyright (c) 1999-2006 Markus J. Buehler.

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