Towards exascale fully relativistic pseudopotential density functional theory calculations enabled by mixed-precision computation and compressed-communication using residual based subspace iteration
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arXiv
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| Main Authors: | Kodali, Nikhil, Panigrahi, Gourab, Gupta, Nishant, Ramakrishnan, Kartick, G, Sundaresan, Panch, Rudra, Das, Sambit, Rao, Vishwas, Motamarri, Phani |
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| Format: | Preprint |
| Published: |
2026
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