17 papers
Informing spectral models for dense plasmas with K-edge absorption measurements of warm dense copper
T. Cordova, E. V. Marley, D. A. Chin +14
Warm dense matter remains a challenging regime to characterize experimentally and to model with predictive accuracy. Recent experimental platforms have been developed to generate,…
Modeling partially-ionized dense plasma using wavepacket molecular dynamics
Daniel Plummer, Pontus Svensson, Wiktor Jasniak +3
We develop a wave packet molecular dynamics framework for modeling the structural properties of partially-ionized dense plasmas, based on a chemical model that explicitly includes…
Overfitting by design: neural network density functionals for water
Karim K. Alaa El-Din, Antonius v. Strachwitz, Ana Coutinho Dutra +1
In density functional theory, simpler exchange-correlation (XC) approximations such as the local density approximation (LDA) are favored for computational speed but rely on limited…
Expander attention as exchange-correlation
Karim K. Alaa El-Din, Antonius v. Strachwitz, Sam M. Vinko
Kohn-Sham density functional theory (DFT) is the workhorse of quantum chemistry, offering an attractive balance between accuracy and computational cost. Although exact in principle…
A Momentum-Resolved X-ray Thomson Scattering Benchmark of Electronic-Response Models in Warm Dense Aluminium
Dmitrii S. Bespalov, Ulf Zastrau, Zhandos A. Moldabekov +58
The robust diagnosis of conditions generated in warm dense matter (WDM) experiments remains a persistent challenge. Here we describe the measurement of shock-compressed aluminium a…
From Entropy to Compression: Competing Thermodynamic Drivers of Structural Transitions in Transition Metals
S. Azadi, S. M. Vinko, A. Principi +2
Solid-solid phase transitions in metals are traditionally driven by changes in density or external pressure. Here we show that, under strong electronic excitation, structural stabi…