Scientists Boost X-Ray Modeling Efficiency by 10x
Scientists from Rutgers University and Helmholtz-Zentrum Dresden-Rossendorf have made a significant breakthrough in enhancing the efficiency of time-dependent density functional theory (TDDFT) calculations for modeling X-ray Thomson Scattering (XRTS) under extreme conditions. Led by Dr. Jan Vorberger, the team has developed a novel method that reduces computational costs and pushes the boundaries of understanding matter under extreme conditions.
The new method combines rigorous convergence tests in the imaginary time domain with a novel noise attenuation technique. This approach links the dynamic structure factor and the imaginary time density-density correlation function, enabling more efficient TDDFT modeling. The team achieved a remarkable speed-up of up to ten times in computational efficiency, which could potentially save vast amounts of computing time.
The research focuses on investigating warm dense matter, a state of matter found in planetary interiors and created in laboratories using powerful lasers. The team explored this state using first-principles calculations based on Density Functional Theory, employing carefully chosen pseudopotentials and advanced exchange-correlation functionals. The investigations extend to hydrogen and aluminum under high pressure, pushing the boundaries of understanding matter under extreme conditions.
The new method, published on arXiv (https://arxiv.org/abs/2510.01875), is crucial for accurately modeling opacity, a material's resistance to light flow. This is vital for understanding astrophysical phenomena and interpreting experimental results. The team's work not only enhances our understanding of matter under extreme conditions but also paves the way for more efficient computational modeling in the field.
Read also:
- Chile's $10B Green Energy Project Threatens World-Class Observatory
- Exploring Harry Potter's Lineage: Decoding the Enigma of His Half-Blood Ancestry
- Elon Musk Acquires 26,400 Megawatt Gas Turbines for Powering His AI Project, Overlooks Necessary Permits for Operation!
- Ontario terminates $100M Starlink agreement due to U.S. import taxes
