Publications

2025

  1. toc_benchmark.png
    A Standardized Benchmark for Machine-Learned Molecular Dynamics Using Weighted Ensemble Sampling
    Alexander Aghili, Andy Bruce, Daniel Sabo , and 5 more authors
    The Journal of Physical Chemistry B, 2025
    Virtual Special Issue: "At the Cutting Edge of Theoretical and Computational Biophysics"
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  2. free_energy_diagram.png
    TICA-Based Free Energy Matching for Machine-Learned Molecular Dynamics
    Alexander Aghili, Andy Bruce, Daniel Sabo , and 1 more author
    ICML 2025 Workshop on Multi-modal Foundation Models and Large Language Models for Life Sciences, 2025
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  3. latent_dynamics.png
    Latent Spaces for Langevin Dynamics
    Andy Bruce, Alexander Aghili, and Razvan Marinescu
    NeurIPS 2025 Workshop: Frontiers in Probabilistic Inference: Sampling Meets Learning, 2025
    "Image credit to Genkin et al."
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