284 citations · 789 across the 23 of their papers we have counts for
24 papers
Assessing data-driven predictions of band gap and electrical conductivity for transparent conducting materials
Federico Ottomano, John Y. Goulermas, Vladimir Gusev +14
Machine Learning (ML) has offered innovative perspectives for accelerating the discovery of new functional materials, leveraging the increasing availability of material databases.…
Learning Atoms from Crystal Structure
Andrij Vasylenko, Dmytro Antypov, Sven Schewe +4
Computational modelling of materials using machine learning, ML, and historical data has become integral to materials research. The efficiency of computational modelling is strongl…
Establishing Deep InfoMax as an effective self-supervised learning methodology in materials informatics
Michael Moran, Vladimir V. Gusev, Michael W. Gaultois +2
The scarcity of property labels remains a key challenge in materials informatics, whereas materials data without property labels are abundant in comparison. By pretraining supervis…
Metrics for quantifying isotropy in high dimensional unsupervised clustering tasks in a materials context
Samantha Durdy, Michael W. Gaultois, Vladimir Gusev +2
Clustering is a common task in machine learning, but clusters of unlabelled data can be hard to quantify. The application of clustering algorithms in chemistry is often dependant o…
Inferring energy-composition relationships with Bayesian optimization enhances exploration of inorganic materials
Andrij Vasylenko, Benjamin Asher, Chris C. Collins +4
Computational exploration of the compositional spaces of materials can provide guidance for synthetic research and thus accelerate the discovery of novel materials. Most approaches…
Epitaxial growth, optical and electrical conductivity of the metallic pyrochlore BiRuO on Y-stabilized ZrO substrate
Marita O'Sullivan, Jonathan Alaria, Mike W. Gaultois +3
We report on the epitaxial growth, structural and electrical properties of metallic pyrochlore bismuth ruthenate heterostructures grown along both the [001] and [111] directions. O…