[HTML][HTML] A perspective on conventional high-temperature superconductors at high pressure: Methods and materials

JA Flores-Livas, L Boeri, A Sanna, G Profeta, R Arita… - Physics Reports, 2020 - Elsevier
Two hydrogen-rich materials, H 3 S and LaH 10, synthesized at megabar pressures, have
revolutionized the field of condensed matter physics providing the first glimpse to 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 …

[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 …

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 …

Ab initio Path Integral Monte Carlo Results for the Dynamic Structure Factor of Correlated Electrons: From the Electron Liquid to Warm Dense Matter

T Dornheim, S Groth, J Vorberger, M Bonitz - Physical review letters, 2018 - APS
The accurate description of electrons at extreme density and temperature is of paramount
importance for, eg, the understanding of astrophysical objects and inertial confinement …

Linear-response time-dependent density functional theory approach to warm dense matter with adiabatic exchange-correlation kernels

ZA Moldabekov, M Pavanello, MP Böhme… - Physical Review …, 2023 - APS
We present a methodology for the linear-response time-dependent density functional theory
(LR-TDDFT) calculation of the dynamic density response function of warm dense matter in …

Electronic pair alignment and roton feature in the warm dense electron gas

T Dornheim, Z Moldabekov, J Vorberger… - Communications …, 2022 - nature.com
The study of matter under extreme densities and temperatures as they occur, for example, in
astrophysical objects and nuclear fusion applications has emerged as one of the most active …

[HTML][HTML] Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: Structural properties

T Dornheim, S Schwalbe, MP Böhme… - The Journal of …, 2024 - pubs.aip.org
We present extensive new ab initio path integral Monte Carlo (PIMC) results for a variety of
structural properties of warm dense hydrogen and beryllium. To deal with the fermion sign …

[HTML][HTML] From density response to energy functionals and back: An ab initio perspective on matter under extreme conditions

Z Moldabekov, J Vorberger, T Dornheim - Progress in Particle and Nuclear …, 2024 - Elsevier
Energy functionals serve as the basis for different models and methods in quantum and
classical many-particle physics. Arguably, one of the most successful and widely used …