There are two openings for the position of post-doctoral scholar starting immediately for the US Department of Energy (DOE) Computational Chemical Sciences (CCS) project titled “SPARC-X: Quantum simulations at extreme scale --- reactive dynamics from first principles” at Georgia Institute of Technology. This is a four year interdisciplinary research project being led by Phanish Suryanarayana, Andrew J Medford, Edmond Chow, and Polo Chau in collaboration with John E Pask (LLNL). The objective of this research is to develop SPARC-X: a computational framework for performing Kohn-Sham Density Functional Theory (DFT) calculations that scale linearly with the number of atoms in the system, leveraging machine-learning and petascale/exascale parallel computers to study chemical phenomena at unprecedented length and time scales. The position will involve interaction with leading researchers from a range of fields including electronic structure theory, numerical methods, high-performance computing, data visualization, and computational catalysis and will help prepare candidates for a range of future careers including academia, national laboratories, or industry.

Qualifications:

1) Ph.D. in any scientific or engineering discipline.

2) Significant expertise in C/C++, MPI programming, and scientific computing.

3) Knowledge of electronic structure theories and calculations.

4) Experience in software development including version control, testing, and documentation.

It is a three year research position, subject to funding and performance. Interested applicants should send a copy of their latest CV (with list of references, publications, and software development experience) to Phanish Suryanarayana ([email protected]) or Andrew J Medford ([email protected]) with the subject line: Postdoc DOE CCS 2018.