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crystal material

2 papers

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Co-occurring keywords · papers mentioning both

de novo discovery (1) periodic graph (1) periodic invariance (1) geometric distance (1) crystal design (1) material property prediction (1) molecular design (1) latent space (1) graph transformer (1) bayesian optimization (1)

Papers

De Novo Molecular and Crystal Design with Latent Space Bayesian Optimization AAAI 2025 Periodic Graph Transformers for Crystal Material Property Prediction NeurIPS 2022