20 citations · 55 across the 5 of their papers we have counts for
5 papers
Velocity-gauge real-time time-dependent density functional tight-binding for large-scale condensed matter systems
Qiang Xu, Mauro Del Ben, Mahmut Sait Okyay +3
We present a new velocity-gauge real-time, time-dependent density functional tight-binding (VG-rtTDDFTB) implementation in the open-source DFTB+ software package (https://dftbplus.…
Dynamic Mode Decomposition for Extrapolating Non-equilibrium Green's Functions Dynamics
Cian C. Reeves, Jia Yin, Yuanran Zhu +3
The HF-GKBA offers an approximate numerical procedure for propagating the two-time non-equilibrium Green's function(NEGF). Here we compare the HF-GKBA to exact results for a variet…
Enhancing Scalability of a Matrix-Free Eigensolver for Studying Many-Body Localization
Roel Van Beeumen, Khaled Z. Ibrahim, Gregory D. Kahanamoku-Meyer +2
In [Van Beeumen, et. al, HPC Asia 2020, https://www.doi.org/10.1145/3368474.3368497] a scalable and matrix-free eigensolver was proposed for studying the many-body localization (MB…
Modern Gyrokinetic Particle-In-Cell Simulation of Fusion Plasmas on Top Supercomputers
Bei Wang, Stephane Ethier, William Tang +4
The Gyrokinetic Toroidal Code at Princeton (GTC-P) is a highly scalable and portable particle-in-cell (PIC) code. It solves the 5D Vlasov-Poisson equation featuring efficient utili…
An efficient basis set representation for calculating electrons in molecules
Jeremiah R. Jones, Francois-Henry Rouet, Keith V. Lawler +9
The method of McCurdy, Baertschy, and Rescigno, J. Phys. B, 37, R137 (2004) is generalized to obtain a straightforward, surprisingly accurate, and scalable numerical representation…