4 papers
StochasticGW-GPU: rapid quasi-particle energies for molecules beyond 10000 atoms
Phillip S. Thomas, Minh Nguyen, Dimitri Bazile +6
is a code for computing accurate Quasi-Particle (QP) energies of molecules and material systems in the GW approximation. utilizes th…
Real-time time-dependent density functional theory for high-energy density physics
Alina Kononov, Minh Nguyen, Andrew D. Baczewski
Electronic response properties of high-energy density (HED) systems influence planetary structure, drive evolution of fusion targets, and underpin diagnostics in laboratory astroph…
GW with hybrid functionals for large molecular systems
Tucker Allen, Minh Nguyen, Daniel Neuhauser
A low-cost approach for stochastically sampling static exchange during TDHF-type propagation is presented. This enables the use of an excellent hybrid DFT starting point for stocha…
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…