Tulga-Erdene Sodjargal

20250317_201301.jpg

Hello and welcome! I’m Tulga, a dude from Erdenet, Mongolia, working at the intersection of machine learning and computational chemistry. I’m currently finishing my B.S. in Bio and Brain Engineering (double major in Chemistry) at KAIST, graduating in February 2027.

Most of my research so far has been (broadly) on computational chemistry. During a year at EPFL with Prof. Michele Ceriotti, I worked on putting long-range interactions into atomistic ML models, which led to a TMLR paper and a poster at the DPG (German Physical Society) Spring Meeting. I’m still working with Prof. Taras V. Pogorelov at UIUC, where I do some statistical analysis on biochemical MD simulations. Along the way I’ve also spent time doing some more applied dry-lab stuff at Mass Gen Hospital/Harvard Medical School, and doing AI/ML internships at Korean startups.

My (broad) research interests include:

  • (Main) Efficient and interpretable integration of ML to existing computational chemistry workflows. In particular, I am currently fascinated by recent work on integration of experimental data into ML-based processes
  • Advanced statistical techniques for analyzing molecular simulations
  • Efficient, user-friendly, and robust software development for computational chemistry

If you are interested in what I did and am doing, please don’t hesitate to contact me through whatever means listed on this website that are convenient to you. I am also open to mentoring and helping out other if I can, and see Mentoring for more.

news

publications

  1. TMLR
    Learning Long-Range Representations with Equivariant Messages
    Egor Rumiantsev, Marcel F. Langer, Tulga-Erdene Sodjargal, Michele Ceriotti, and Philip Loche
    Transactions on Machine Learning Research, 2026
  2. Poster
    Integrating Long-Range Interactions into Machine Learning Interatomic Potentials
    Tulga-Erdene Sodjargal, Egor Rumiantsev, Philip Loche, and Michele Ceriotti
    In German Physical Society (DPG) Spring Meeting, session MM 9.62, 2025
  3. arXiv
    scicode-widgets: Bringing Computational Experiments to the Classroom with Jupyter Widgets
    Alexander Goscinski, Taylor James Baird, Dou Du, João Prado, Divya Suman, Tulga-Erdene Sodjargal, Sara Bonella, Giovanni Pizzi, and Michele Ceriotti
    arXiv preprint arXiv:2507.05734, 2025
    Under review