most citedSimulation of 24,000 Electrons Dynamics: Real-Time Time-Dependent Density Functional Theory (TDDFT) with the Real-Space Multigrids (RMG)

9 citations · 9 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2025

pyRMG: A Framework for High-Throughput, Large-Cell DFT Calculations on Supercomputers

R. J. Morelock, S. Bagchi, E. L. Briggs +3

Exascale computing delivers the raw power to simulate ever larger and more chemically realistic systems, but realizing this potential requires codes that can efficiently use thousa…

physics.comp-ph2024★ 9 cited

Simulation of 24,000 Electrons Dynamics: Real-Time Time-Dependent Density Functional Theory (TDDFT) with the Real-Space Multigrids (RMG)

Jacek Jakowski, Wenchang Lu, Emil Briggs +4

We present the theory, implementation, and benchmarking of a real-time time-dependent density functional theory (RT-TDDFT) module within the RMG code, designed to simulate the elec…