A postdoctoral fellowship is available immediately to work under the supervision of Dr. Judit Zádor at Sandia National Laboratories in Livermore, California. 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 work is in the framework of the Exascale Catalytic Chemistry (ECC) project (https://ecc-project.sandia.gov/), funded by the Department of Energy, and involves a strong collaboration with the members of our interdisciplinary and multi-institutional team, with the possibility of contributing to other aspects of the project as well.

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 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: 680073