2026
Guiding Peptide Kinetics via Collective-Variable Tuning of Free-Energy Barriers
Journal of Chemical Theory and Computation, recent paper
Introduces a framework for rationally modifying free-energy surfaces to control conformational transition rates, using HLDA-based collective variables derived from limited metastable-state sampling.
2025
Enhancing Bayesian Network Discovery by Sampling Markov Equivalent DAGs
Master's thesis, University of Helsinki, Master's thesis
Introduces a Markov Equivalent Step for Bayesian network structure discovery MCMC, improving convergence and exploration of complex network-structure posteriors.
Scaling Up Bayesian DAG Sampling
arXiv preprint
Presents more efficient Bayesian DAG sampling methods, including faster basic graph moves and approximate parent-set pruning to improve scalability.