One or more Post-Doctoral Associate positions are available in the Department of Aerospace Engineering and Mechanics to serve as members of the research team working on the OpenKIM and ColabFit projects. OpenKIM aims to make molecular simulations in materials science, nanoscience, and chemistry reliable, reproducible, and accessible, by curating and testing analytic and machine learning (ML) interatomic potentials (IPs) and developing advanced software tools and infrastructure. ColabFit supports the creation of advanced data-driven ML IPs through the development of automated fitting frameworks (in collaboration with LLNL) and use of state-of-the-art generative ML models.

These are exciting projects at the cutting-edge of molecular simulation with unusually high networking opportunities as it involves collaborations with many leading groups engaged in the development of IPs and advanced molecular simulations.

Applications will be considered on an ongoing basis until the position is filled. The position is available as of September 2023, initially for up to 2 years. Interested individuals are encouraged to contact Professor Ellad Tadmor (tadmor@umn.edu).

To apply, please provide the following (see also How To Apply section below):

• Cover letter describing how your background fits the above needs and requirements, and why you are interested in contributing to the OpenKIM and/or ColabFit projects.
• CV or Resume.
• Names and contact information for three references familiar with your work.

Duties/Responsibilities

The successful applicant will work on various aspects of OpenKIM/ColabFit including:

• Integration of OpenKIM/ColabFit functionality into molecular simulation packages
• Implementation of state-of-the-art physics-based and ML IPs
• Development of computational protocols for IP validation and verification
• Development of data science and uncertainty quantification tools for IP training
• Engagement in scientific research related to molecular simulations in materials/chemistry

Required Qualifications

• Ph.D. in aerospace engineering or related field
• Excellent analytical and computer programming skills.
• Ability to manage multiple projects and effectively work with other researchers.
• Excellent organizational, presentation and writing skills.
• Demonstrated self-motivation and creativity.
• Expertise with C/C++, Python, shell scripting
• Experience with DevOps tools (Git, continuous integration, unit testing, etc.)

Preferred Qualifications

• Experience with OpenKIM development (KIM models, KIM tests, KIM VCs)
• Experience with classical molecular simulations of materials (e.g. LAMMPS, ASE)
• Experience developing ML methods and familiarity with standard ML libraries (e.g. PyTorch)
• Experience with first principles calculations
• Contribution to open source efforts (in particular to molecular simulation codes)
   

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