The mission of the Argonne Leadership Computing Facility (ALCF) is to accelerate major scientific discoveries and engineering breakthroughs for humanity by designing and providing world-leading computing facilities in partnership with the computational science community. We help researchers solve some of the world’s largest and most complex problems with our unique combination of supercomputing resources and expertise.

We invite you to apply for a postdoctoral appointee position with the ALCF. You will work with computational scientists at the Argonne Leadership Computing Facility (ALCF) to develop software tools and infrastructure based on the recently described Variational Subspace Valence Bond (VSVB) method(DOI:10.1063/1.4916743), and its use in conjunction with the Quantum Monte Carlo (QMC) method. The project includes development and optimization of the main VSVB code, toward Next Generation supercomputer architectures, together with workflow tools to generate input for VSVB and process the output for QMC. Applications include the study of catalytic processes (surface reactions) at the heart of candidate battery technologies, and strongly correlated transition metal systems for which methods such as DFT fail.

Position Requirements:

We expect you to have:

- PhD in a computational science area including chemistry, physics, materials science.
- Comprehensive knowledge of numerical methods, parallel programming with OpenMP, MPI.
- Comprehensive experience in programming in one or more programming languages such as Fortran, C, C++, and Python.
- Considerable knowledge of parallel algorithms, distributed memory architectures, and parallel performance evaluation/optimization of domain specific implementations.
- Candidate should have the ability to create, maintain, and support high-quality software.
- An ideal candidate would have published their scientific software in a public repository (e.g. GitHub).
- Good communication skills both verbal and written.
- Considerable independent judgment and critical thinking.

Desirable Knowledge and Skills:

- Considerable knowledge of quantum chemistry
- Good experience and skills in interdisciplinary teams involving mathematicians, computer scientists, and discipline scientists.
- Collaborative skills including the ability to work well with other laboratories and universities, supercomputer centers, and industry.
- Good publication record, preferably including first-author publication(s).
- Experience with scientific applications that scale to several thousand MPI processes on massively parallel platforms.

Those interested should apply at http://www.anl.gov/careers/apply-job/postdoctoral-applicants under requisition number 402097. Please describe/indicate in your cover letter, (1) your parallel programming experience, (2) desired start date, and (3) eligibility for working in the US, if known.

As an equal employment opportunity and affirmative action employer, Argonne National Laboratory is committed to a diverse and inclusive workplace that fosters collaborative scientific discovery and innovation. In support of this commitment, Argonne encourages minorities, women, veterans and individuals with disabilities to apply for employment. Argonne considers all qualified applicants for employment without regard to age, ancestry, citizenship status, color, disability, gender, gender identity, genetic information, marital status, national origin, pregnancy, race, religion, sexual orientation, veteran status or any other characteristic protected by law.