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.Â The position collaborates with the supervisor and other PIs within the Division of Chemical and Biochemical Sciences at Ames Laboratory, ISUÂ 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.Â Possible projects could involve using and developing high performance methods for sparsity and development of on the fly general fitting basis sets.Â 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 candidateâs expertise.Â
The successful candidate will be working with an interdisciplinary group of researchers from six national laboratories and two universities.Â 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:
Â Ph.D. must be completed prior to start date.
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.
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. Over 36,000 students are enrolled and served by over 6,200 faculty and staff (see www.iastate.edu). Ames, Iowa is a progressive community of 60,000, located approximately 30 minutes north of Des Moines, and recently voted the best college town in the nation (see www.visitames.com).
Iowa State University is an equal opportunity employer committed to excellence through diversity and strongly encourages applications from all qualified applicants, including women, underrepresented minorities, and veterans. ISU is responsive to the needs of dual career couples, is dedicated to work-life balance through an array of policies, and is an NSF ADVANCE institution.
Iowa State University is an Equal Opportunity/Affirmative Action employer. All qualified applicants will receive consideration for employment without regard to race, color, religion, sex, national origin, disability, or protected Veteran status and will not be discriminated against.