Final Report for Integrated Multiscale Modeling of Molecular Computing Devices

Glotzer, Sharon C.

关键词: self-assembly;    Nanotetrapods;    computational modeling;   

DOI  :  10.2172/1092495
RP-ID  :  DOE/ER/46094-1
PID  :  OSTI ID: 1092495

学科分类：材料科学（综合）

美国|英语

来源: SciTech Connect

【 摘 要 】

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.