42 citations · 84 across the 3 of their papers we have counts for
3 papers
Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app
Xing Wang, Edan Bainglass, Miki Bonacci +23
Despite the wide availability of density functional theory (DFT) codes, their adoption by the broader materials science community remains limited due to challenges such as software…
Common workflows for computing material properties using different quantum engines
Sebastiaan P. Huber, Emanuele Bosoni, Marnik Bercx +23
The prediction of material properties through electronic-structure simulations based on density-functional theory has become routinely common, thanks, in part, to the steady increa…
The Q Continuum Simulation: Harnessing the Power of GPU Accelerated Supercomputers
Katrin Heitmann, Nicholas Frontiere, Chris Sewell +6
Modeling large-scale sky survey observations is a key driver for the continuing development of high resolution, large-volume, cosmological simulations. We report the first results…