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physics.comp-ph2025
Training a Foundation Model for Materials on a Budget
Teddy Koker, Mit Kotak, Tess Smidt
Foundation models for materials modeling are advancing quickly, but their training remains expensive, often placing state-of-the-art methods out of reach for many research groups.…
physics.comp-ph2024
Higher-Order Equivariant Neural Networks for Charge Density Prediction in Materials
Teddy Koker, Keegan Quigley, Eric Taw +2
The calculation of electron density distribution using density functional theory (DFT) in materials and molecules is central to the study of their quantum and macro-scale propertie…