DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization

Sambit Das, Phani Motamarri, Vishal Subramanian, David M. Rogers, Vikram Gavini. DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization. Computer Physics Communications, 280:108473, 2022. [doi]

Authors

Sambit Das

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Phani Motamarri

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Vishal Subramanian

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David M. Rogers

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Vikram Gavini

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