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Ray Bair

Chief Computational Scientist for Applications

High Performance Computing Applications, Systems and Facilities


Dr. Raymond Bair is the Chief Computational Scientist for Applications in the Computing, Environment and Life Sciences Directorate (CELS) and the Computational Science Division (CSD). He is also Senior Scientist at Large in the University of Chicago’s Consortium for Advanced Science and Engineering (CASE). Furthermore, Ray directs Argonne’s institutional research computing center, the Laboratory Computing Resource Center (LCRC). He has over 50 years experience in software development and considerable project management experience. He was instrumental in establishing two ground-up national scientific user facilities, the ALCF (for ASCR) and the Molecular Science Computing Facility in PNNL’s Environmental Molecular Sciences Laboratory (for BER). Presently, Ray leads Argonne’s efforts in three areas of DOE’s Exascale Computing Project: NWChemEx Data Science, Hardware Evaluation, and PathForward subject matter experts. He is also the Argonne lead for the joint DOE-DOD advanced computer architecture effort, Project 38.

Research Interests

  • Modeling complex chemical systems, e.g., for energy storage, combustion, molecular biology
  • High performance computational electronic structure methods for chemical, materials and biology problems
  • New computer architectures for scientific computing, analytics and learning
  • Modeling and evaluation of computational systems
  • Development of new computational and data facilities to meet emerging research needs