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Iowa State University Postdoctoral Research Associate - Ames Laboratory in Ames, Iowa

Position Information:

Position Title:Postdoctoral Research Associate - Ames Laboratory

Appointment Type:Post Doc/Trainee

Job Description:Summary of Duties and Responsibilities:

The Division of Chemical and Biological Sciences at Ames Laboratory, a Department of Energy National Laboratory affiliated with Iowa State University, is searching for a qualified Postdoctoral Research Associate available within the NWChem Exascale Computing Project, NWChemEx. Research activities will be conducted under the supervision of Dr. Theresa Windus as part of a multi-investigator interdisciplinary project on the redesign, engineering and application of computational methods within NWChemEx. The position requires the completion of a Ph.D. degree in chemistry or related field. Experience in the development and coding of high performance computing methods prior to the appointment, as well as coding in multiple programming languages, software cycles, modern computer architectures and use of repository software is preferred. The position collaborates with the supervisor and other PIs within the Division of Chemical and Biochemical Sciences at Ames Laboratory, ISU and externally; designs and implements highly scalable and flexible quantum chemistry software; invents, performs and conducts investigations; interprets the results; presents and defends research at professional and project meetings; and drafts manuscripts for publication with collaborating co-authors.

The successful candidate will work on the development of exascale algorithms, especially for reduced scaling correlated methods within the NWChemEx project. Possible projects could involve using and developing high performance methods for sparsity and development of on the fly general fitting basis sets. Experience with C++ is highly preferred, and experience with Python and GPUs would also be useful. Other possible projects will be considered depending on the successful candidate’s expertise.

The successful candidate will be working with an interdisciplinary group of researchers from six national laboratories and two universities. Therefore, excellent communication and cooperation skills are important for success.

This Postdoctoral Research Associate is a one-year appointment with opportunity for renewal.

Required Minimum Qualifications:

Ph.D. must be completed prior to start date.

Preferred Qualifications:

  • Degree in physical chemistry or related field.

  • Experience in development of quantum mechanical theoretical methods and research techniques, including the ability to develop, test, and use computer programs using excellent software engineering techniques.

  • Experience with reduced scaling methods.

  • Experience in working with theoretical and computational scientists and engineers in fields related to software design and implementation.

  • Extensive experience with the latest versions of Python and C++.

  • Experience with high performance libraries and languages (MPI, OpenMP, CUDA, etc.).

  • Proven ability to deliver excellent software products.

Department Unit/Website:

Proposed Start Date:July 1, 2021

Proposed End Date or Length of Term:June 30, 2022

Number of Months Employed Per Year:

Time Type:Full time

Pay Grade:Post Docs

Application Instructions:

To apply for this position, please click on “Apply” and complete the Employment Application. Please be prepared to enter or attach the following:

1) Resume/Curriculum Vitae

2) Letter of Application/Cover Letter

3) Contact Information for Three References

The candidate selected for hire may be requested to provide documentation to verify highest degree completed.

If you have questions regarding this application process, please email or call 515-294-4800 or Toll Free: 1-877-477-7485.

Original Posting Date: April 30, 2021

Posting Close Date:May 31, 2021

Job Requisition Number:R4832

Iowa State University ( is classified as a Carnegie Foundation Doctoral/Research University-Extensive, a member of the Association of American Universities ( AAU ), and ranked by U.S. News and World Report as one of the top public universities in the nation. More than 30,000 students are enrolled and are served by over 6,200 faculty and staff.

Iowa State University is a global and culturally diverse university committed to providing an inclusive, equitable, and diverse environment for both learning and employment. We know that diversity in experience and perspective is vital to advancing innovation, critical thinking, solving complex problems, and building an inclusive academic community. At Iowa State, we translate these values into action by seeking individuals who have experience working with diverse students, colleagues, and constituents. The university has an expectation that all employees will demonstrate a contribution to diversity and inclusion as embodied in Iowa State University’s Principles of Community ( .

All offers of employment, oral and written, are contingent upon the university’s verification of credentials and other information required by federal and state law, ISU policies/procedures, and may include the completion of a background check and/or a consumer credit check.

Iowa State University is an Equal Opportunity/Affirmative Action employer. All qualified applicants will receive consideration for employment without regard to race, color, age, religion, sex, sexual orientation, gender identity, genetic information, national origin, marital status, disability, or protected veteran status and will not be discriminated against. Inquiries can be directed to the Office of Equal Opportunity, 3410 Beardshear Hall, 515 Morrill Road, 515 294-7612, email .

If you have questions about the application process please email or call 515-294-4800 or Toll-Free at 1-877-477-7485 . Iowa State University provides reasonable accommodations to applicants and employees with disabilities. Applicants with questions about access or requiring a reasonable accommodation for any part of the application or hiring process should email or call (515) 294-4800 or Toll-Free: (877) 477-7485 . TTY users are welcome to use the Iowa Relay Service number by dialing 7-1-1 or (800) 735-2942 .

General ISU compensation information can be found here: