16 citations · 51 across the 11 of their papers we have counts for
3 papers · 1 filter
Deterministic/Fragmented-Stochastic Exchange for Large Scale Hybrid DFT Calculations
Nadine C. Bradbury, Tucker Allen, Minh Nguyen +1
We develop an efficient approach to evaluate range-separated exact exchange for grid or plane-wave based representations within the Generalized Kohn-Sham DFT (GKS-DFT) framework. T…
Stochastic Metholodgy Shows Molecular Interactions Protect 2D Polaritons
Nadine Bradbury, Raphael Ribeiro, Justin R. Caram +1
We introduce stochastic techniques that enable the simulations of polaritons resulting from placing giant 2D molecular aggregate crystals with interacting excitonic dyes in…
Optimized Attenuated Interaction: Enabling Stochastic Bethe-Salpeter Spectra for Large Systems
Nadine C. Bradbury, Tucker Allen, Minh Nguyen +2
We develop an improved stochastic formalism for the Bethe-Salpeter equation, based on an exact separation of the effective-interaction to two parts, where the l…