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Postdoctoral Researcher – Molecular Simulations for Rare Event Processes

💼 Graduate Job


🤑 $71.3K - $117.6K
⌛ Closed
Applications are closed

Graduate Job

Research & DevelopmentGolden


  • The NREL mission is to develop renewable energy and energy efficient technologies and practices, advance related science and engineering, and transfer knowledge and innovation to address the nation’s energy and environmental goals. A postdoctoral researcher role is available in NREL’s Renewable Resources and Enabling Sciences Center.


  • Must be a recent PhD graduate within the last three years.* Must meet educational requirements prior to employment start date.
  • Additional Required Qualifications:
  • Troubleshooting skills, problem-solving skills, and attention to detail
  • Ability to deliver high-quality results within aggressive timelines
  • A strong publication history in the peer-reviewed scientific literature
  • Creativity in working with management, principal investigators, and senior staff to plan, design, and execute projects
  • Experience communicating research results at national/international conferences
  • Experience with high performance computing, Linux shells, and (preferred) GPU usage
  • Preferred Qualifications:
  • Basic or advanced experience in nucleation theory, especially multicomponent nucleation, including experience with molecular scale transport issues, including diffusion and changing compositions.
  • Demonstrated experience in Python and/or other relevant programming languages, especially applied to the development of high-throughput computational workflows.
  • Demonstrated knowledge of molecular dynamics simulations best practices, forcefields, and packages (e.g. Gromacs, NAMD, CHARMM, Amber, etc.).
  • Experience with git workflows.

Education requirements


Area of Responsibilities

Research & Development


  • Develop and apply state-of-the-art computational tools to study rare events processes, particularly nucleation from solution
  • Design and execute atomistic and/or coarse-grained molecular dynamics simulations to compute molecular mechanisms, free energies, transport behavior, and reaction rates in the context of rare event processes. This will include the application of enhanced sampling and importance sampling techniques.
  • Incorporate molecular simulation data into reduced order models (e.g. CFD models)
  • Work effectively both independently and in a large, multidisciplinary, multi-institutional team.
  • Collaborate with modeling and experimental collaborators to plan, execute, discuss, and analyze project results and propose new directions.
  • Effectively communicate and interact with scientists and engineers to define the requirements of the simulations and models. Obtain necessary input data for simulations and provide meaningful interpretation of modeling results to guide experiments, operations, and engineering designs.
  • Effectively communicate scientific results with the project team, both in written and oral formats.
  • Publicly disseminate research findings through publications in technical journals and presentations at conferences, symposia, and review meetings.
  • Maintain professionalism and an environment of mutual respect in all communication and interactions with fellow staff and collaborators

Application process

  • Please DO NOT attach copies of manuscripts, certificates, or presentation slides in your application. Please only include your resume and a cover letter


Work type

Full time

Work mode





71300 - 117600 USD