The Leadership Computing Facility at Argonne National Laboratory (ALCF) (near Chicago, USA) has one immediate postdoctoral opening on high performance computational science for materials modeling and optimization for energy storage systems. The focus is not only on materials, but also on the mechanisms and dynamics of interactions at interfaces. Methods may include reactive force-field molecular dynamics (MD), accelerated MD, ab initio MD (e.g., using QBOX), and kinetic Monte Carlo. The postdoctoral researcher will develop and implement materials modeling methods and algorithms, and use performance tools to identify bottlenecks in simulations (load imbalances, I/O problems, memory constraints, etc.). The work is performed in close collaboration with multi-disciplinary science project team(s) and ALCF HPC experts.

Applicants should have considerable knowledge of the following:

• High performance computational science, especially using large scientific code(s)
• Multi-dimensional code development (in Fortran/C/C++)  
• Parallel computing (MPI, OpenMP)
• Classical (especially reactive) or ab initio molecular dynamics
• Chemistry and materials for batteries or electrochemistry

Good skills in the solution of computational science problems using scalable parallel computers and large data systems are advantageous. Excellent communication skills, both verbal and written, are required. Good collaborative skills, including the ability to work well with other divisions, labs, universities, and industry, are beneficial. A PhD in computational physics, chemistry, materials science, chemical engineering, or a related field is required. Interested candidates should send their CV and answers to the questions below to Maria Chan at [email protected]:

1. What is your experience with code development?
2. What is your experience with large scale computation?
3. What is your experience with energy storage materials and/or electrochemistry?
4. What materials modeling technique(s) do you have expertise in?

Argonne National Laboratory offers excellent compensation and benefit packages. Argonne is a U.S. Department of Energy laboratory managed by UChicago Argonne, LLC. Argonne is an equal opportunity employer, and we value diversity in our workforce.