Time‐dependent coupled‐cluster theory
B Sverdrup Ofstad, E Aurbakken… - Wiley …, 2023 - Wiley Online Library
Recent years have witnessed an increasing interest in time‐dependent coupled‐cluster
(TDCC) theory for simulating laser‐driven electronic dynamics in atoms and molecules, and …
(TDCC) theory for simulating laser‐driven electronic dynamics in atoms and molecules, and …
Stochastic vector techniques in ground-state electronic structure
We review a suite of stochastic vector computational approaches for studying the electronic
structure of extended condensed matter systems. These techniques help reduce algorithmic …
structure of extended condensed matter systems. These techniques help reduce algorithmic …
[HTML][HTML] Review of the second charged-particle transport coefficient code comparison workshop
We report the results of the second charged-particle transport coefficient code comparison
workshop, which was held in Livermore, California on 24–27 July 2023. This workshop …
workshop, which was held in Livermore, California on 24–27 July 2023. This workshop …
Time-dependent density-functional-theory calculations of the nonlocal electron stopping range for inertial confinement fusion applications
Nonlocal electron transport is important for understanding laser-target coupling for laser-
direct-drive (LDD) inertial confinement fusion (ICF) simulations. Current models for the …
direct-drive (LDD) inertial confinement fusion (ICF) simulations. Current models for the …
Fast and universal Kohn-Sham density functional theory algorithm for warm dense matter to hot dense plasma
AJ White, LA Collins - Physical review letters, 2020 - APS
Understanding many processes, eg, fusion experiments, planetary interiors, and dwarf stars,
depends strongly on microscopic physics modeling of warm dense matter and hot dense …
depends strongly on microscopic physics modeling of warm dense matter and hot dense …
Accelerating equilibration in first-principles molecular dynamics with orbital-free density functional theory
We introduce a practical hybrid approach that combines orbital-free density functional theory
(DFT) with Kohn-Sham DFT for speeding up first-principles molecular dynamics simulations …
(DFT) with Kohn-Sham DFT for speeding up first-principles molecular dynamics simulations …
Combining stochastic density functional theory with deep potential molecular dynamics to study warm dense matter
In traditional finite-temperature Kohn–Sham density functional theory (KSDFT), the partial
occupation of a large number of high-energy KS eigenstates restricts the use of first …
occupation of a large number of high-energy KS eigenstates restricts the use of first …
Attenuating the fermion sign problem in path integral Monte Carlo simulations using the Bogoliubov inequality and thermodynamic integration
Accurate thermodynamic simulations of correlated fermions using path integral Monte Carlo
(PIMC) methods are of paramount importance for many applications such as the description …
(PIMC) methods are of paramount importance for many applications such as the description …
[HTML][HTML] On-the-fly machine learned force fields for the study of warm dense matter: Application to diffusion and viscosity of CH
We develop a framework for on-the-fly machine learned force field (MLFF) molecular
dynamics (MD) simulations of warm dense matter (WDM). In particular, we employ an MLFF …
dynamics (MD) simulations of warm dense matter (WDM). In particular, we employ an MLFF …
Mixed stochastic-deterministic time-dependent density functional theory: application to stopping power of warm dense carbon
AJ White, LA Collins, K Nichols… - Journal of Physics …, 2022 - iopscience.iop.org
Warm dense matter (WDM) describes an intermediate phase, between condensed matter
and classical plasmas, found in natural and man-made systems. In a laboratory setting …
and classical plasmas, found in natural and man-made systems. In a laboratory setting …