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Orbital-free density functional theory: An attractive electronic structure method for large-scale first-principles simulations
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 …
method in chemistry, physics, and materials science, with thousands of calculations cited …
The uniform electron gas at warm dense matter conditions
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 …
article we review the uniform electron gas (UEG) at finite temperature and over a broad …
[HTML][HTML] Electronic density response of warm dense matter
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 …
(WDM)—is ubiquitous throughout our Universe and occurs in astrophysical objects such as …
[HTML][HTML] Ab initio simulation of warm dense matter
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 …
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
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 …
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
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 …
9007 10.1103/PhysRevLett. 117.156403], we presented the first quantum Monte Carlo …
Quantum computation of stop** power for inertial fusion target design
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 …
particle passing through it—one of many properties needed over a wide range of …
DFT: A theory full of holes?
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 …
density functional theory. The field is so huge that no attempt to be comprehensive is made …
Orbital-free density functional theory for materials research
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 …
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 …
endeavour, will be in a unique position to perform research in high-energy-density-physics …