544 citations · 1k across the 12 of their papers we have counts for
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Roadmap on Electronic Structure Codes in the Exascale Era
Vikram Gavini, Stefano Baroni, Volker Blum +38
Electronic structure calculations have been instrumental in providing many important insights into a range of physical and chemical properties of various molecular and solid-state…
Boron nitride on SiC(0001)
You-Ron Lin, Markus Franke, Shayan Parhizkar +8
In the field of van der Waals heterostructures, the twist angle between stacked two-dimensional (2D) layers has been identified to be of utmost importance for the properties of the…
GPU Acceleration of Large-Scale Full-Frequency GW Calculations
Victor Wen-zhe Yu, Marco Govoni
Many-body perturbation theory is a powerful method to simulate electronic excitations in molecules and materials starting from the output of density functional theory calculations.…