Final Report for Integrated Multiscale Modeling of Molecular Computing Devices

Technical Report · Wed Aug 28 00:00:00 EDT 2013

DOI:https://doi.org/10.2172/1092495· OSTI ID:1092495

Glotzer, Sharon C.

In collaboration with researchers at Vanderbilt University, North Carolina State University, Princeton and Oakridge National Laboratory we developed multiscale modeling and simulation methods capable of modeling the synthesis, assembly, and operation of molecular electronics devices. Our role in this project included the development of coarse-grained molecular and mesoscale models and simulation methods capable of simulating the assembly of millions of organic conducting molecules and other molecular components into nanowires, crossbars, and other organized patterns.

• Research Organization: Univ. of Michigan, Ann Arbor, MI (United States)
• Sponsoring Organization: USDOE
• Contributing Organization: Funded jointly with Participating Institutions and Primary Institutional Contacts: Oak Ridge National Laboratory: Robert Harrison Vanderbilt University: Peter Cummings North Carolina State University: Jerry Bernholc University of Colorado: Greg Beylkin Princeton University: Weinan E University of Tennessee: Timothy Schulze
• DOE Contract Number: FG02-03ER46094
• OSTI ID: 1092495
• Report Number(s): DOE/ER/46094-1
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
self-assembly
Nanotetrapods
computational modeling