High-Performance electron transport at interfaces
at ORAU Workforce Solutions

Date Posted: 9/11/2019

Opportunity Description

Title of Research Opportunity: High-Performance electron transport at interfaces Modern electronic devices rely on electronic junctions of multiple materials and their interactions. One feature that current state of the art modeling lacks is the ability to calculate accurate electron transport for systems with interfaces, defects, or indirect band gaps. Current models rely predominantly on direct band gaps in perfect bulk 3D materials. The band gaps are fitted with semi-empirical models in order to simulate 3D electron transport using Monte Carlo approaches. Current treatment of indirect band gap materials do not include explicitly the scattering processes but only approximate them. One dimensional molecular conductance simulations use a generally symmetric divide-and-conquer approach rather than for realistic three dimensional systems. The Polymers Branch of the U.S. Army Research Lab is looking for candidates whose efforts will enable quantum mechanical capabilities to provide first-principles explorations of the relationship between the atomic-scale structural, electronic, and transport characteristics of real materials with their macroscopic properties. This research opportunity aligns with the ARL S&T Campaign in the areas of Computational Science and Materials in an effort to improve the performance, reliability and versatility of future Army systems. Eligibility: Applicants should have received a Ph.D. degree in Computational Physics, Computational Chemistry, Computational Materials Science, or a closely related discipline. Candidates should demonstrate a strong academic background with research experience in developing algorithms and materials modeling. Additional experience with electron transport or electronic devices is highly desirable. Keywords: electron transport, density functional theory

Opportunity Snapshot

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