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All Stories

  1. A reproducible workflow for reaction-path calculations, end to end

    Article • MethodsX, June 2026, Elsevier

    Rohit Goswami

  2. A faster saddle point hunt that knows when to switch methods

    Article • Frontiers in Chemistry, May 2026, Frontiers

    Rohit Goswami

  3. One Bayesian loop for every energy-surface search: minima, saddles, and reaction paths

    Article • ACS Physical Chemistry Au, May 2026, American Chemical Society (ACS)

    Rohit Goswami

  4. Visualizing chemical optimization histories across potentials and methods

    Article • MethodsX, March 2026, Elsevier

    Rohit Goswami

  5. Geometry-aware data pruning halves wall time for GP-accelerated saddle searches

    Article • ChemPhysChem, February 2026, Wiley

    Rohit Goswami

  6. Geometry-aware data pruning halves wall time for GP-accelerated saddle searches

    Article • ChemPhysChem, February 2026, Wiley

    Rohit Goswami

  7. Common data formats and model interfaces for atomistic machine learning

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

    Rohit Goswami

  8. 400x faster lava flow simulations for real-time eruption response

    Article • Computer Physics Communications, October 2025, Elsevier

    Rohit Goswami

  9. GP-accelerated saddle point searches with 10x fewer force evaluations

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

    Rohit Goswami

  10. Bayesian ranking of saddle point search algorithms with uncertainty

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

    Rohit Goswami

  11. Femtosecond thermal lensing for quantitative fragrance mixture analysis

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

    Rohit Goswami, Professor Debabrata Goswami

  12. Reproducible phylogenetic analysis on HPC with literate programming

    Article • October 2024, Center for Open Science

    Rohit Goswami

  13. Reproducible HPC software environments with Nix

    Article • October 2024, Center for Open Science

    Rohit Goswami

  14. High-order finite elements for atomic structure with a new relativistic solver

    Article • Computer Physics Communications, April 2024, Elsevier

    Rohit Goswami

  15. Flowy: High Performance Probabilistic Lava Emplacement Prediction

    Article • January 2024, Elsevier

    Rohit Goswami

  16. Fast Matrix Market I/O for R with C++ backend

    Article • November 2023, The R Foundation

    Rohit Goswami

  17. Reproducible HPC software environments with Nix

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

    Professor Debabrata Goswami, Rohit Goswami

  18. Reproducible phylogenetic analysis on HPC with literate programming

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

    Rohit Goswami

  19. A survey of the Fortran ecosystem and its modernization

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

    Rohit Goswami

  20. Grammar-based parsing for ORCA quantum chemistry with Python

    Article • January 2022, SciPy

    Rohit Goswami

  21. Designing inclusive online conferences beyond mere access

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

    Rohit Goswami, Dr Kirstie J Whitaker

  22. Semi-supervised learning for ultrafast laser pulse shaping

    Article • January 2021, Springer Science + Business Media

    Professor Debabrata Goswami, Rohit Goswami

  23. Ultrafast thermal lensing as a probe for fragrance mixtures

    Article • April 2020, American Chemical Society (ACS)

    Professor Debabrata Goswami, Rohit Goswami

  24. Open-source structural analysis for ice nucleation simulations

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

    Rohit Goswami

  25. Self-propelled Janus particles in crowded colloidal suspensions

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

    Rohit Goswami

  26. Physical constraints on combining quantum computing with deep learning

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

    Professor Debabrata Goswami, Rohit Goswami

  27. In defense of critical peer review

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

    Rohit Goswami

  28. How surface defects on silver iodide disrupt ice nucleation

    Article • Molecular Physics, August 2019, Taylor & Francis

    Rohit Goswami

  29. An Ambitious Blueprint for Faster Laser Simulations

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

    Rohit Goswami, Professor Debabrata Goswami

  30. Distributed quantum computing with shaped femtosecond laser pulses

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

    Rohit Goswami, Professor Debabrata Goswami