301 citations · 1.9k across the 37 of their papers we have counts for
4 papers · 1 filter
Reproducibility of real-time time-dependent density functional theory calculations of electronic stopping power in warm dense matter
Alina Kononov, Alexander J. White, Katarina A. Nichols +2
Real-time time-dependent density functional theory (TDDFT) is widely considered to be the most accurate available method for calculating electronic stopping powers from first princ…
Assessment of localized and randomized algorithms for electronic structure
Jonathan E. Moussa, Andrew D. Baczewski
As electronic structure simulations continue to grow in size, the system-size scaling of computational costs increases in importance relative to cost prefactors. Presently, linear-…
QMCPACK : An open source ab initio Quantum Monte Carlo package for the electronic structure of atoms, molecules, and solids
Jeongnim Kim, Andrew Baczewski, Todd D. Beaudet +45
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms,…
Numerical Integration of the Extended Variable Generalized Langevin Equation with a Positive Prony Representable Memory Kernel
Andrew D. Baczewski, Stephen D. Bond
Generalized Langevin dynamics (GLD) arise in the modeling of a number of systems, ranging from structured fluids that exhibit a viscoelastic mechanical response, to biological syst…