129 citations · 281 across the 20 of their papers we have counts for
3 papers · 1 filter
Acceleration without Disruption: DFT Software as a Service
Fusong Ju, Xinran Wei, Lin Huang +13
Density functional theory (DFT) has been a cornerstone in computational chemistry, physics, and materials science for decades, benefiting from advancements in computational power a…
A circuit-generated quantum subspace algorithm for the variational quantum eigensolver
Mark R. Hirsbrunner, J. Wayne Mullinax, Yizhi Shen +4
Recent research has shown that wavefunction evolution in real- and imaginary-time can generate quantum subspaces with significant utility for obtaining accurate ground state energi…
Capturing electronic correlations in electron-phonon interactions in molecular systems with the GW approximation
Antonios M. Alvertis, David B. Williams-Young, Fabien Bruneval +1
Electron-phonon interactions are of great importance to a variety of physical phenomena, and their accurate description is an important goal for first-principles calculations. Isol…