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  1. metatensor and metatomic : Foundational libraries for interoperable atomistic machine learning

    Article • The Journal of Chemical Physics, February 2026, American Institute of Physics

    Rohit Goswami

  2. Smarter Algorithms, Faster Code: A New Tool for Real-Time Volcano Hazard Assessment

    Article • Computer Physics Communications, October 2025, Elsevier

    Rohit Goswami

  3. An Order-of-Magnitude Speedup: Accelerating Chemical Reaction Searches with Machine Learning

    Article • Journal of Chemical Theory and Computation, August 2025, American Chemical Society (ACS)

    Rohit Goswami

  4. A Better Scorecard: Using Modern Statistics to Rank Chemistry Algorithms

    Article • AIP Advances, August 2025, American Institute of Physics

    Rohit Goswami

  5. A New Laser "Fingerprint" for Rapid Fragrance Analysis

    Article • Chemistry - An Asian Journal, June 2025, Wiley

    Rohit Goswami, Professor Debabrata Goswami

  6. High Throughput Reproducible Literate Phylogenetic Analysis

    Article • October 2024, Center for Open Science

    Rohit Goswami

  7. Reproducible High Performance Computing without Redundancy with Nix

    Article • October 2024, Center for Open Science

    Rohit Goswami

  8. Raising the Bar for Atomic Solvers with Modern Fortran and a Novel Relativistic Solution Method

    Article • Computer Physics Communications, April 2024, Elsevier

    Rohit Goswami

  9. fastMatMR: A High-Performance Engine for Matrix Data in R

    Article • November 2023, The R Foundation

    Rohit Goswami

  10. Taming the Chaos: A Better Way to Manage Software on Supercomputers

    Article • November 2022, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Debabrata Goswami, Rohit Goswami

  11. Taming the Supercomputer: A Reproducible Workflow for Evolutionary Biology

    Article • November 2022, Institute of Electrical & Electronics Engineers (IEEE)

    Rohit Goswami

  12. Fortran's Comeback: How a Community is Modernizing a Scientific Computing Classic

    Article • Computing in Science & Engineering, March 2022, Institute of Electrical & Electronics Engineers (IEEE)

    Rohit Goswami

  13. No More Broken Parsers: A Better Way to Manage Chemistry Data

    Article • January 2022, SciPy

    Rohit Goswami

  14. Beyond Just Being Online: A Guide to Truly Inclusive Virtual Conferences

    Article • GigaScience, August 2021, Oxford University Press (OUP)

    Rohit Goswami, Dr Kirstie J Whitaker

  15. Teaching Lasers: Using AI to Perfect Ultrafast Pulse Shaping

    Article • January 2021, Springer Science + Business Media

    Professor Debabrata Goswami, Rohit Goswami

  16. An Early Look: Using Ultrafast Lasers to Quantify Fragrance Mixtures

    Article • April 2020, American Chemical Society (ACS)

    Professor Debabrata Goswami, Rohit Goswami

  17. d-SEAMS: A Digital Microscope for Watching Water Freeze

    Article • Journal of Chemical Information and Modeling, March 2020, American Chemical Society (ACS)

    Rohit Goswami

  18. A Tiny Motor in a Crowd: How Self-Propelled Particles Navigate Messy Environments

    Article • Soft Matter, January 2020, Royal Society of Chemistry

    Rohit Goswami

  19. Bridging Two Worlds: The Real Challenges of Quantum Machine Learning

    Article • December 2019, Institute of Electrical & Electronics Engineers (IEEE)

    Professor Debabrata Goswami, Rohit Goswami

  20. A Letter to Nature: Why Peer Reviewers Shouldn't Be Forced to Be "Nice"

    Article • Nature, October 2019, Springer Science + Business Media

    Rohit Goswami

  21. A "Template Mismatch" Explains Why Flawed Surfaces Disrupt How Water Freezes

    Article • Molecular Physics, August 2019, Taylor & Francis

    Rohit Goswami

  22. An Ambitious Blueprint for Faster Laser Simulations

    Article • March 2019, Institute of Electrical & Electronics Engineers (IEEE)

    Rohit Goswami, Professor Debabrata Goswami

  23. Networking Molecules: An Early Vision for a Distributed Quantum Computer

    Article • January 2016, Optical Society of America (OSA)

    Rohit Goswami, Professor Debabrata Goswami