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Data publication: Electron-phonon coupling in transition metals beyond Wang's...
All input files and scripts to setup calculations in abinit. Also all output files that were used to generate the figures and tables. -
Data publication: Revealing Non-equilibrium and Relaxation in Warm Dense Matter
All data as needed to generate the figures in the manuscript. -
Data publication: Non-empirical mixing coefficient for hybrid XC functionals ...
The density values from KS-DFT simulations presented in the paper by Moldabekov et al., J. Phys. Chem. Lett. 2023, 14, 5, 1326–1333 -
Data publication: Electron-ion temperature relaxation in warm dense hydrogen ...
DFT-MD and HNC data for cryogenic hydrogen and for two-temperature hydrogen -
Predicting hot-electron free energies from ground-state data
Machine-learning potentials are usually trained on the ground-state, Born-Oppenheimer energy surface, which depends exclusively on the atomic positions and not on the simulation... -
Data publication: Assessing the accuracy of hybrid exchange-correlation funct...
This repository contains the DFT simulation results presented in the article "Assessing the accuracy of hybrid exchange-correlation functionals for the density response of... -
PIMC data for the nonlinear electronic density response in warm-dense matter ...
This repository contains the PIMC raw data for the actual density response of the harmonically perturbed electron gas. The data can be freely re-used. Please cite: T.... -
Data publication: Benchmarking Exchange-Correlation Functionals in the Spin-P...
DFT simulation results for the total density distribution -
Data publication: Towards a Quantum Fluid Theory of Correlated Many-Fermion S...
KS-DFT simulations results for wave functions and total densities used to compute Bohm potential -
Data publication: Benchmarking Exchange-Correlation Functionals in the Spin-P...
DFT simulation results for the total density distribution -
Data publication: Thermal Excitation Signals in the Inhomogeneous Warm Dense ...
The KS-DFT simulation results for electron energy loss function (EELF) -
Data publication: Shock Physics in Warm Dense Matter--a quantum hydrodynamics...
Figures of the shock propagation
