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Date: Thu Feb 18 16:12:54 2016
Subject: 16.02.18 Computational Materials Postdoc
A computational materials post-doctoral position at the University of Pittsburgh is available
 starting immediately on the atomistic simulation of the initial stages of metal oxidation. 

The appointment is for one year but can be extended upon mutual consent. The position is 
offered by Professors Judith Yang (Chemical & Petroleum Engineering, University of 
Pittsburgh), and Wissam A. Saidi  (Mechanical Engineering and Materials Science, University
 of Pittsburgh). The position involves a close collaboration with Professor Graeme 
Henkelman (Chemistry, University of Texas at Austin). 

Surface oxidation processes play critical roles in environmental stability, high temperature 
corrosion, electrochemistry, functional oxide film growth as well as various energy
 applications, such as fuel cells and hydrogen storage.  The objective of this research 
program is to develop a mechanistic understanding of nano-oxidation via coordinated 
theoretical and experimental efforts. The successful applicant will perform multi-scale 
simulations on the complexities of oxygen interactions with a metal surface. These 
theoretical predictions, using input parameters obtained via first principles and molecular 
dynamics, will then be directly correlated with in situ transmission electron microscopy 
(TEM) experiments, for comprehensive knowledge of nano-oxidation. This program is 
funded by the National Science Foundation.  

A PhD in Materials Science or similar field is required. Also, successful candidates need 
to be well versed in density functional theory, force-field approaches, and kinetic Monte 
Carlo (KMC) simulations. This project is at the forefront of materials and surface science, 
with a comprehensive synergy between the different levels of simulation, including 
electronic structure, molecular dynamics as well as KMC, and experiments.  

The Places Rated Almanac named Pittsburgh recently as Americas Most Livable City. 
The University of Pittsburgh is ranked 37th in the world's top 100 global universities by 
Newsweek International, and second in the nation for nanoscale research (Small Times, 6(3) 
To apply for this post-doc position, please send a resume with the names and contact 
information  for three references, or to obtain more information, please contact Professors 
Judy Yang ( and/or Wissam Saidi (
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