Publications

You can also find my articles on my Google Scholar profile.

Conference Papers


Synthetic Data Reveals Generalization Gaps in Correlated Multiple Instance Learning

Published in ML4H 2025 Symposium, Findings Track, 2025

We evaluate how well current MIL models capture inter-instance correlations by generating synthetic datasets and constructing a Bayes estimator as an optimal upper bound on model performance.

Recommended citation: Ethan Harvey, Dennis Johan Loevlie, and Michael C. Hughes. (2025). "Synthetic Data Reveals Generalization Gaps in Correlated Multiple Instance Learning." ML4H 2025 Symposium, Findings Track.
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Journal Articles


Single Atom Alloys Segregation in the Presence of Ligands

Published in The Journal of Physical Chemistry C, 2023

Investigating how ligands affect single atom alloy segregation using machine learning and computational chemistry.

Recommended citation: Salem, M., Loevlie, D. J., Mpourmpakis, G. (2023). "Single Atom Alloys Segregation in the Presence of Ligands." The Journal of Physical Chemistry C. 127(46):22790-22798.
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Demystifying the Chemical Ordering of Multimetallic Nanoparticles

Published in Accounts of Chemical Research, 2023

A novel method to predict the chemical ordering of multimetallic nanoparticles, achieving a 71% reduction in RMSE compared to previous approaches.

Recommended citation: Dennis Johan Loevlie, Brenno Ferreira, and Giannis Mpourmpakis. (2023). "Demystifying the chemical ordering of multimetallic nanoparticles." Accounts of Chemical Research. 56(3):248–257.
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Size-dependent Shape Distributions of Platinum Nanoparticles

Published in Nanoscale Advances, 2022

Collaborative work applying Boltzmann statistics to explain experimental findings about platinum nanoparticle shape distributions.

Recommended citation: Ruikang Ding, Ingrid M. Padilla Espinosa, Dennis Loevlie, Soodabeh Azadehranjbar, Andrew J. Baker, Giannis Mpourmpakis, Ashlie Martini, and Tevis D. B. Jacobs. (2022). "Size-dependent shape distributions of platinum nanoparticles." Nanoscale Advances. 4:3978–3986.
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Resolving Electrocatalytic Imprecision in Atomically Precise Metal Nanoclusters

Published in Current Opinion in Chemical Engineering, 2022

Review article on nanoparticle electrocatalyst design, covering machine learning applications and background in computational chemistry.

Recommended citation: Anantha Venkataraman Nagarajan, Dennis Johan Loevlie, Michael J Cowan, and Giannis Mpourmpakis. (2022). "Resolving electrocatalytic imprecision in atomically precise metal nanoclusters." Current Opinion in Chemical Engineering. 36:100784.
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