Computational scientist working at the intersection of molecular simulation, machine learning, and statistical mechanics. I focus on building software that other scientists can actually use and build on.
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Class-conditional generative models for identifying stable states in high-dimensional conformational landscapes. RL-driven protocols for minimal-work non-equilibrium simulations and adaptive control of sampling trajectories. |
Free-energy path convergence through repeated non-equilibrium reweighting and trajectory refinement. Mechanistic origins of sequence recognition from minimal peptide motifs and multi-scale modelling. |