140 citations
- Lawrence Livermore National LaboratoryUS11 papers
- California Institute of TechnologyUS3 papers
- Columbia UniversityUS3 papers
- Duke UniversityUS3 papers
- University of WashingtonUS3 papers
- Bielefeld UniversityDE2 papers
- Centre National de la Recherche ScientifiqueFR2 papers
- Google (United States)US2 papers
- GSI Helmholtz Centre for Heavy Ion ResearchDE2 papers
- Macquarie UniversityAU2 papers
- Simulation Technologies (United States)US2 papers
- SLAC National Accelerator LaboratoryUS2 papers
Showing 2021Show all
3 papers · 1 filter
quant-ph2021★ 12 cited
Quantum Information Dimension and Geometric Entropy
Fabio Anza, James P. Crutchfield
Geometric quantum mechanics, through its differential-geometric underpinning, provides additional tools of analysis and interpretation that bring quantum mechanics closer to classi…
cond-mat.mtrl-sci2021★ 2 cited
INQ, a modern GPU-accelerated computational framework for (time-dependent) density functional theory
Xavier Andrade, Chaitanya Das Pemmaraju, Alexey Kartsev +6
We present INQ, a new implementation of density functional theory (DFT) and time-dependent DFT (TDDFT) written from scratch to work on graphical processing units (GPUs). Besides GP…
physics.chem-ph2021★ 16 cited
Spectral Functions from Auxiliary-Field Quantum Monte Carlo without Analytic Continuation: The Extended Koopmans' Theorem Approach
Joonho Lee, Fionn D. Malone, Miguel A. Morales +1
We explore the extended Koopmans' theorem (EKT) within the phaseless auxiliary-field quantum Monte Carlo (AFQMC) method. The EKT allows for the direct calculation of electron addit…