EPW: Quantum Materials Engineering at the Exascale (IMAGE)

University of Texas at Austin

EPW: Quantum Materials Engineering at the Exascale

Caption

Sabyasachi Tiwari and Feliciano Giustino of UT Austin plan to scale up the EPW code by developing hierarchical MPI/OpenMP parallelization. EPW is a powerful open-source tool that excels at probing properties such as the electrical conductivity of semiconductors and the onset of superconductivity in quantum materials. Image shows large quasi-2D electron polaron in anatase TiO2. Charge density isosurface (blue isosurface) of electron polaron in anatase.

Credit

DOI: 10.1073/pnas.2414203121

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