Orbital-free density functional theory: An attractive electronic structure method for large-scale first-principles simulations

W Mi, K Luo, SB Trickey, M Pavanello - Chemical Reviews, 2023 - ACS Publications
Kohn–Sham Density Functional Theory (KSDFT) is the most widely used electronic structure
method in chemistry, physics, and materials science, with thousands of calculations cited …

The uniform electron gas at warm dense matter conditions

T Dornheim, S Groth, M Bonitz - Physics Reports, 2018 - Elsevier
Motivated by the current high interest in the field of warm dense matter research, in this
article we review the uniform electron gas (UEG) at finite temperature and over a broad …

[HTML][HTML] Electronic density response of warm dense matter

T Dornheim, ZA Moldabekov, K Ramakrishna… - Physics of …, 2023 - pubs.aip.org
Matter at extreme temperatures and pressures—commonly known as warm dense matter
(WDM)—is ubiquitous throughout our Universe and occurs in astrophysical objects such as …

[HTML][HTML] Ab initio simulation of warm dense matter

M Bonitz, T Dornheim, ZA Moldabekov, S Zhang… - Physics of …, 2020 - pubs.aip.org
Warm dense matter (WDM)—an exotic state of highly compressed matter—has attracted
increased interest in recent years in astrophysics and for dense laboratory systems. At the …

Deep dive into machine learning density functional theory for materials science and chemistry

L Fiedler, K Shah, M Bussmann, A Cangi - Physical Review Materials, 2022 - APS
With the growth of computational resources, the scope of electronic structure simulations has
increased greatly. Artificial intelligence and robust data analysis hold the promise to …

Ab initio Exchange-Correlation Free Energy of the Uniform Electron Gas at Warm Dense Matter Conditions

S Groth, T Dornheim, T Sjostrom, FD Malone… - Physical review …, 2017 - APS
In a recent Letter [T. Dornheim et al., Phys. Rev. Lett. 117, 156403 (2016) PRLTAO 0031-
9007 10.1103/PhysRevLett. 117.156403], we presented the first quantum Monte Carlo …

Quantum computation of stop** power for inertial fusion target design

NC Rubin, DW Berry, A Kononov, FD Malone… - Proceedings of the …, 2024 - pnas.org
Stop** power is the rate at which a material absorbs the kinetic energy of a charged
particle passing through it—one of many properties needed over a wide range of …

DFT: A theory full of holes?

A Pribram-Jones, DA Gross… - Annual review of physical …, 2015 - annualreviews.org
This article is a rough, quirky overview of both the history and present state of the art of
density functional theory. The field is so huge that no attempt to be comprehensive is made …

Orbital-free density functional theory for materials research

WC Witt, BG Del Rio, JM Dieterich… - Journal of Materials …, 2018 - cambridge.org
Orbital-free density functional theory (OFDFT) is both grounded in quantum physics and
suitable for direct simulation of thousands of atoms. This article describes the application of …

[HTML][HTML] P3: An installation for high-energy density plasma physics and ultra-high intensity laser–matter interaction at ELI-Beamlines

S Weber, S Bechet, S Borneis, L Brabec… - Matter and Radiation …, 2017 - pubs.aip.org
ELI-Beamlines (ELI-BL), one of the three pillars of the Extreme Light Infrastructure
endeavour, will be in a unique position to perform research in high-energy-density-physics …