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Postdoctoral Research Associate in Large Scale Simulations

Date: Jul 22, 2021

Location: Oak Ridge, TN, US, 37830

Company: Oak Ridge National Laboratory

Requisition Id 5513 


We are seeking a Postdoctoral Research Associate for the Multiscale Materials group in the Computational Science and Engineering Division (CSED).  The candidate will be expected to contribute to the large scale simulations for energy storage and the development of AI/ML frameworks for Electrochemical Systems. CSED focuses on transdisciplinary computational science and analytics at scale to enable scientific discovery across the physical sciences, engineered systems, and biomedicine and health. It provides foundations and advances in quantum information sciences to enable quantum computers, devices, and networked systems. It develops community applications, data assets, and technologies and provides assurance to build knowledge and impact in novel, crosscut-science outcomes.

The candidate will be a postdoctoral researcher within the Multiscale Materials (MM) group of the Advanced computing methods for Physical Sciences Section in CSED. The MM group is focused on delivering multiscale, multi-fidelity computational models and systems using algorithms and analytics for materials and related physical sciences for a broad range of energy, transportation, and advanced manufacturing applications. The MM group also houses specific strengths in electrochemistry, energy storage and batteries modeling.


Major Duties/Responsibilities: 

  • Collaborate within a multi-disciplinary research environment consisting of computational scientists, computer scientists, experimentalists, and engineers/physicists conducting basic and applied research in support of the Laboratory’s missions. 
  • Participate in the development of machine learning algorithms and software for the simulation of electrochemical systems for applications such as energy storage, material synthesis and separation processes. 
  • Participate in the design and architecture of integrated, multi-scale, coupled-physics computer codes, design and implementation of scalable numerical methods, uncertainty quantification, and following team planning, documentation, verification and validation, and software quality processes.
  • Successful candidate must author peer reviewed papers, technical papers, reports and proposals for internal and external release as well as represents the organization by giving technical presentations in large public forums.


Basic Qualifications:

  • A PhD degree in mechanical, chemical engineering or a relevant material science with emphasis on computational data science or a related discipline
  • Extensive experience in the development and application of machine learning tools for simulation of electrochemical systems and lithium-ion batteries.
  • Expertise in one or more areas of particular relevance to simulations of interest such as neural nets and data based approaches, multi-scale methods, coupled physics methods, and/or advanced verification, validation methodologies.
  • Experience working in a multi-disciplinary research environment.
  • Proven publication track record.
  • Effective interpersonal skills, written and oral communication skills, and strong motivation.


Preferred Qualifications:

  • Demonstrated experience in the design and implementation of numerical algorithms in one or more high-level computing languages, preferably within a team that follows software quality standards.
  • Excellent written and oral communication skills
  • Motivated self-starter with the ability to work independently and to participate creatively in collaborative teams across the laboratory 
  • Ability to function well in a fast-paced research environment, set priorities to accomplish multiple tasks within deadlines, and adapt to ever changing needs


Postdocs: Applicants cannot have received their Ph.D. more than five years prior to the date of application and must complete all degree requirements before starting their appointment. The appointment length will be up to 24 months with the potential for extension. Initial appointments and extensions are subject to performance and availability of funding.


Letters of Recommendation: 3 letters of recommendation are required for this position.


Relocation:  Moving can be overwhelming and expensive. UT-Battelle offers a generous relocation package to ease the transition process. Domestic and international relocation assistance is available for certain positions. If invited to interview, be sure to ask your Recruiter (Talent Acquisition Partner) for details.
For more information about our benefits, working here, and living here, visit the “About” tab at


This position will remain open for a minimum of 5 days after which it will close when a qualified candidate is identified and/or hired.

We accept Word (.doc, .docx), Adobe (unsecured .pdf), Rich Text Format (.rtf), and HTML (.htm, .html) up to 5MB in size. Resumes from third party vendors will not be accepted; these resumes will be deleted and the candidates submitted will not be considered for employment.

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ORNL is an equal opportunity employer. All qualified applicants, including individuals with disabilities and protected veterans, are encouraged to apply.  UT-Battelle is an E-Verify employer.

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