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Filtering by: Committee Member Keidar, Michael Degree Ph.D. Keyword Solvent effect Keyword Monte Carlo Simulation Keyword Driven Dynamics

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Computer Simulations of Molecular Electronic Devices in Vacuum and in Organic Solvents

Description:

The main aim of this dissertation is to study the structure and dynamics of molecular electronic devices in vacuum and in solvent environment, with special focus on the mechanical properties and cross-section geometries of the break-junction down to the atomic level. The problem statement relies...

Author:

Wang, Huachuan

Keyword:

Monte Carlo Simulation, Solvent effect, Computer Simulations, Driven Dynamics, Molecular dynamics Simulations, and Molecular Electronics

GW Unit:

Mechanical & Aerospace Engineering

Degree:

Ph.D.

Advisor:

Leng, Yongsheng

Committee Member(s):

Keidar, Michael, Li, Tianshu, Lee, James, Wang, Xianqiao, and Solares, Santiago

Resource Type:

Thesis or Dissertation