Multiscale Modeling and Simulation

Materials and Process Simulation Center (MSC)

California Institute of Technology











bullet CMDF software development management system
bullet Python-based prototype: VisualMM Distributed Visual Multiparadigm Framework

bullet Basic: Demonstrates basic component creation, definition, inter-connection and distributed run. ReaxFF-LAMMPS simulation to generate an amorphous Si surface from an Si crystal.  Single loop model (setup overseas using our California-based application servers to run).

bulletConstrained Molecular Dynamics modules
bullet pEFF: parallel electron force field (runs on LAMMPS)
bullet GARFfield: General Force Field Optimization Framework (runs with LAMMPS)
bulletMiscellaneous scripts


bulletRecent publications (see here)


bullet CMDF Reference Manual


Image and Movie Gallery

bullet Neon atom nano-pump (Nanotechnology 9 (3), 143-152 (1998))
bullet 1st and 2nd generation Planetary nano-gears (Nanotechnology 9 (3), 143-152 (1998))
bullet GPCR single helix structure prediction using Constrained MD (NVT@300K, 100ps)
bullet Si Crack dynamics using ReaxFF/Tersoff potentials
bullet Dendrite formation in solid Lithium (using pEFF electron-explicit dynamics)
bullet Lithium-Lithium hypervelocity impact (ionization and plasma formation using pEFF electron-explicit MD)
bullet dsDNA translocation through solid-state nanopore (asymmetric salt concentration between cis/trans reservoirs).
bulletMore ...


This page remains under construction ...if you have any questions regarding access to some of the items listed here please send us an e-mail.





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 (C) Materials and Process Simulation Center, Caltech, 2007.
Contact: Andres Jaramillo-Botero [ajaramil at].
Last updated: 04/04/12.