A Research Associate (Researcher 5) position is available in the Department of Aerospace Engineering and Mechanics to serve as a member of the research team working on the OpenKIM and related projects. OpenKIM aims to make molecular simulations in materials science, nanoscience, and chemistry reliable, reproducible, and accessible, by curating and testing physics-based and machine learning (ML) interatomic potentials (IPs) and developing advanced software tools and infrastructure.

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 ([email protected]). To apply, please provide the following:

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

Duties/Responsibilities

The job has several components:

• Development of OpenKIM Software (65%)
  • Development of computational protocols for IP validation and verification.
  • Extension of OpenKIM functionality to supported bonded force fields.
  • Integration of OpenKIM functionality into molecular simulation packages.
  • Engagement in scientific research related to molecular simulations in materials/chemistry.

• Project Oversight (20%)
  • Providing project management and oversight of multiple projects.
  • Providing technical oversight of multiple projects.
  • Providing technical advising of other researchers in the group.
  • Recruitment of external collaborations, and organizing and participating in virtual and in-person meetings with collaborators of joint research projects.
  • Strategic lead focusing on OpenKIM adoption.
  • Providing support to OpenKIM users

• Communication and Dissemination of Results (10%)
  • Preparing research reports and presentations for program/project reviews.
  • Preparing technical abstracts, papers, and presentations for conference activities.
  • Preparing journal papers for top journals.

• Mentoring (5%)
  • Mentoring graduate and undergraduate students and providing technical feedback and guidance on OpenKIM related research.

Required Qualifications

• Ph.D. in aerospace engineering or related field
• One or more years of research experience
• Experience with OpenKIM development (KIM models, KIM tests, KIM VCs)
• Experience with crystallography theory and with online DFT repositories (such as AFLOW)
• Expertise with C/C++, Python, shell scripting
• Experience with DevOps tools (Git, continuous integration, unit testing, etc.)
• Experience with classical molecular simulations of materials (e.g. LAMMPS, ASE)
• 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.

Preferred Qualifications

• Experience with the Atomic Simulation Environment (ASE) Python package
• Experience with first principles calculations
• Contribution to open source efforts (in particular to molecular simulation codes)

About University of Minnesota Twin Cities

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