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Mesh Graph Neural Network Framework for Accelerating Finite Element Simulation for Arbitrary Geometries
Josiah D. Kunz, Kamal Choudhary
Finite element analysis (FEA) is essential for structural design but remains computationally expensive, particularly when evaluating multiple design iterations or load scenarios. M…
AtomBench: A Benchmarking Framework for Generative Crystal Reconstruction Models in Conventional Superconductors
Charles Rhys Campbell, Aldo H. Romero, Kamal Choudhary
A key question in benchmarking generative crystal reconstruction models is how the amount and type of crystallographic information provided to a generative model affects its abilit…
Uncertainty Prediction for Machine Learning Models of Material Properties
Francesca Tavazza, Brian De Cost, Kamal Choudhary
Uncertainty quantification in Artificial Intelligence (AI)-based predictions of material properties is of immense importance for the success and reliability of AI applications in m…