A postdoctoral fellowship is available immediately to work under the supervision of Dr. Judit Zádor at Sandia National Laboratories in Livermore, California. The work is part of the Exascale Catalytic Chemistry (ECC) project (https://ecc-project.sandia.gov/), which focuses on fundamental aspects of heterogeneous catalysis. We seek talented applicants with experience using periodic DFT calculations to create microkinetic mechanisms. The postdoctoral  associate will be contributing to the development of our code “pynta” (https://github.com/zadorlab/pynta), which enables large-scale kinetics calculations for heterogeneous catalytic systems using high performance computing. The work involves coding mostly in Python, hands-on experience with current peta- and upcoming exascale machines, and exploration of the mechanistic details of catalytic processes on surfaces. The project involves strong collaboration with members of our interdisciplinary and multi-institutional team.

Salary:  $91,000 USD / year, with full benefits

US Citizenship is NOT required for this position.

QUALIFICATIONS WE REQUIRE

A PhD in Chemistry, Chemical Engineering, Physics, Material Science, or related fields conferred within the past five years.
Substantial expertise in an area of computational heterogeneous catalysis.

Working knowledge for periodic DFT calculations.

Solid knowledge of Python.

Strong publication record matching the current career stage.

QUALIFICATIONS WE DESIRE

Good presentation, writing, and communication skills.

Knowledge of the theoretical and modeling aspects of heterogeneous catalysis.

Experience with plane wave quantum chemistry codes NWChem and Quantum Espresso.

Experience with high-performance computing.

Familiarity with machine learning techniques.

To Apply:
•       go to http://www.sandia.gov/careers/students_postdocs/postdocs.html
•       click 'View All Jobs'
•       search for Job ID: 682407