Postdoc at Argonne National Laboratory - Metascalable Layered Materials Genome

Position Description

The mission of the Argonne Leadership Computing Facility (ALCF) is to accelerate major scientific discoveriesand engineering breakthroughs for humanity by designing and providing world-leading computingfacilities 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.

We invite you to apply for a postdoctoral appointee position with the ALCF. You will research and develop massively parallel nonadiabatic quantum molecular dynamics (NAQMD) and reactive molecular dynamics (RMD) simulation programs. The specific project you will be working on is in the area of functional materials, which, as the name implies, have behaviors useful in science and industry. There is great interest today in engineering materials to have desired behaviors. One approach involves stacking atomically thin layers of different materials to achieve a complex molecular interplay throughout the stack. The resulting behavior of the stack cannot be explained by traditional theories and can only be predicted by directly simulating the layers as collections of molecules interacting with each other. Massive NAQMD and RMD simulations of functional layered materials will be validated by experiments on the same materials using a free-electron X-ray laser.

You will join the Computational Science (Catalyst) group in ALCF; this is a highly collaborative environment involving science application teams, academia, industry as well as other national labs and agencies. The chosen applicant will have a rare chance to learn and exploit some of the world’s largest supercomputers, and use state-of-the-art techniques on current and upcoming supercomputing systems to help solve significant real-world problems.

Position Requirements

We expect you to have:

• PhD + 0-3 years in computational sciences including physics, chemistry, material science and amp; engineering, or in a related field.
• Comprehensive knowledge of numerical methods, parallel programming with pthreads, 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 and first principles molecular dynamics.
• Coding experience in massively parallel NAQMD, RMD, molecular dynamics, or other particle methods.
• 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 402078. 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.