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Rajeev Jain

Principal Software Development Specialist


Rajeev Jain is a principal research software specialist in the Mathematics and Computer Science Division at Argonne National Laboratory.

He received his Bachelor of Technology (B.Tech) in Mechanical Engineering from Indian School of Mines (now Indian Institute of Technology, IIT) Dhanbad in 2006. He was a project engineer with Wipro Technologies, India from 2006 to 2007, before moving to the U.S.A for higher education. He has two master’s degrees, first, in Structural Engineering from Arizona State University (2009) and second, in Computer Science from University of Chicago (2020). He is primarily interested in managing multi-disciplinary simulation/computation for applications-oriented problems. Jain is currently involved in three primary projects:

Current Projects:
  • CANDLEIMPROVE: Exascale deep-learning-enabled precision medicine for cancer with researchers at Argonne, Los Alamos, Lawrence Livermore, and Oak Ridge National Laboratories and the National Cancer Institute. Contributions: Deep Neural Network (DNN) modeling, setting up candle-compliant models. Published papers on model robustness with counterfactuals / noise injection and hyper-parameter optimization framework Supervisor”. Currently focussed on testing claims made by the recent cancer drug-response papers and creating a framework for understanding model sensitivity and XAI
  • UXARRAY / SEATS is funded by the Regional and Global Modeling and Analysis (RGMA) program area in the U.S. Department of Energy (DOE) Earth and Environmental System Modeling Program which is part of the Earth and Environmental Systems Sciences Division of the Office of Biological and Environmental Research in DOE’s Office of Science. Contributions: Coded the first draft of the UXARRAY API, wrote python functions to integrate and read/write unstructured grids. The first version v2022.06.0 of the package was released.
  • Flash-X / / ExaStar, a collaboration between Berkeley Lab, Oak Ridge Lab, Argonne Lab, and Stony-Brook University, is an application development project within the DOE Exascale Computing Project. Contributions: CI, testing frameworks maintenance and development, documentation, and asynchronous IO. Review/manage GitHub Actions, GitHub PRs, Issues etc.
Past Projects:
  • SIGMA  components for SHARP are developed under the auspices of the U.S. Department of Energy, Office of Nuclear Energy, Nuclear Energy Advanced Modeling and Simulation Program (NEAMS). PI for MeshKit (mesh generation C++ toolkit) for the reactor geometry generation package. Contributions: Conceptualized and wrote the parallel (MPI-based) RGG (Reactor Geometry (and mesh) Generator) toolkit, authored journal papers. Wrote other mesh generation algorithms (PostBL) and maintained testing and CI for MeshKit.
  • Urban exascale project focusing on coupling of atmosphere, building energy, transportation, and socio-economic models with researchers at Argonne, Oak Ridge, Lawrence Berkeley, NREL, and UChicago. Harvard: Talk. ECP 2019: CoverageContributions: Lead meetings, presented ideas to leadership, understood, and created urban coupled codes and published a journal paper with building energy and CFD coupling.


Google Scholar: link


ACM (Association for Computing Machinery)