3 papers
cond-mat.mtrl-sci2024
Efficient Generation of Grids and Traversal Graphs in Compositional Spaces towards Exploration and Path Planning
Adam M. Krajewski, Allison M. Beese, Wesley F. Reinhart +1
Many disciplines of science and engineering deal with problems related to compositions, ranging from chemical compositions in materials science to portfolio compositions in economi…
cond-mat.mtrl-sci2024
Efficient Materials Informatics between Rockets and Electrons
Adam M. Krajewski
The true power of computational research typically can lay in either what it accomplishes or what it enables others to accomplish. In this work, both avenues are simultaneously emb…
cond-mat.mtrl-sci2024
Efficient Structure-Informed Featurization and Property Prediction of Ordered, Dilute, and Random Atomic Structures
Adam M. Krajewski, Jonathan W. Siegel, Zi-Kui Liu
Structure-informed materials informatics is a rapidly evolving discipline of materials science relying on the featurization of atomic structures or configurations to construct vect…