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materials informatics

2 papers

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crystal property prediction (1) graph neural network (1) phonon do (1) electron do (1) interatomic potential (1) crystal structure (1) material property prediction (1) multimodal transformer (1) message passing neural network (1) density of state (1)

Papers

Density of States Prediction of Crystalline Materials via Prompt-guided Multi-Modal Transformer NeurIPS 2023 Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction ICML 2023