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20112026
most citedThe Hartree-Fock phase diagram of the two-dimensional electron gas

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cond-mat.mtrl-sci2026

GPU acceleration of plane-wave density functional theory calculations in Abinit

Ioanna-Maria Lygatsika, Marc Sarraute, Lucas Baguet +2

We report on the GPU port of the Abinit high-performance simulation code for plane-wave DFT calculations. Large-scale electronic structure calculations require computing the electr…