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Postdoctoral position on Exascale Computing for Advanced Materials at Oak Ridge National Laboratory

SwarnavaGhosh's picture

Dear Colleagues, 

I have an opening for a postdoctoral position at Oak Ridge National Laboratory on exascale computing for multiscale modeling of materials. The candidate will get to use Frontier – the first exascale supercomputer (rank# 1) and Summit, currently ranked # 5 on top 500 list. The applications targeted will be related to the development of alloys for extreme environments, high entropy materials and quantum materials. Furthermore the will be opportunities to work on problems related to the post-exascale era. Applications will only be accepted through the official job application website (link below). However candidates are free to get in touch with me for any questions and clarifications.

Job application link:

Details of the position

Requisition Id 10477 


Oak Ridge National Laboratory is the largest US Department of Energy science and energy laboratory, conducting basic and applied research to deliver transformative solutions to compelling problems in energy and security.

We are seeking a Postdoctoral Research Associate who will support the Advanced Computing for Chemistry and Materials in the National Center for Computational Sciences (NCCS), Computing and Computational Sciences Directorate (CCSD) at Oak Ridge National Laboratory (ORNL) to perform leading-edge computational materials research and development.

 This role will focus on the development, efficient parallel implementation, and application of first principles methods to multiscale modeling of advanced materials. The scientific effort will focus on modeling nanomaterials, phase-transformations, and microstructure evolution in materials with applications in energy, manufacturing, and electronics.

The successful candidate will be mentored and teamed with staff in the National Center for Computational Sciences. They will collaborate with leading computer and computational scientists at ORNL and external collaborators in the development and application of new computational techniques specifically targeted at the key DOE Office of Science missions. 

Major Duties/Responsibilities: 

  • Work closely with ORNL researchers in using the resources of the OLCF effectively
  • Develop and port scalable computational materials physics applications and algorithms for OLCF computers
  • Develop and apply advanced, compute-intensive computational materials methodologies to study the fundamental properties of materials at multiple scales to meet scientific objectives
  • Debug, profile, and tune materials physics applications for high performance
  • Conduct research and report results in journal publications, conference papers and technical manuals
  • Deliver ORNL’s mission by aligning behaviors, priorities, and interactions with our core values of Impact, Integrity, Teamwork, Safety, and Service. Promote diversity, equity, inclusion, and accessibility by fostering a respectful workplace – in how we treat one another, work together, and measure success

Basic Qualifications:

  • A Ph.D. in engineering, materials science, physics, applied mathematics or other related field completed within the last 5 years
  • Basic understanding of numerical algorithms and parallel application development techniques (parallel programming models, algorithms, and software)
  • Solid skills in common scientific programming languages, in particular C/C++ and scripting languages such as Python, MATLAB.
  • Knowledge of computational materials physics and solid mechanics.
  • Experience in deriving and implementing formulations in commonly used materials modeling such as but not limited to Density Functional Theory, molecular dynamics, and Phase-Field.

Preferred Qualifications:

  • Experience in one or more prominent first-principles calculation packages, such as VASP, Quantum Espresso, ABINIT, WIEN2K and their application to multiscale analysis of advanced materials
  • Experience in contributing to an open-source materials physics code.
  • Experience in parallel programming with one or more common parallel programming models, in particular MPI, OpenACC, OpenMP, CUDA, and HIP
  • Experience in heterogeneous programming
  • Experience in developing, debugging, and profiling massively parallel codes
  • Excellent written and oral communication skills
  • Ability to work independently and to participate creatively in collaborative teams
  • Ability to function in a fast-paced research environment, set priorities to accomplish multiple tasks within deadlines, and adapt to ever changing needs

For more details see the job application link.


Swarnava Ghosh

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