244 citations · 1.5k across the 28 of their papers we have counts for
29 papers
Roadmap for warm dense matter physics
Jan Vorberger, Frank Graziani, David Riley +71
This roadmap presents the state-of-the-art, current challenges and near future developments anticipated in the thriving field of warm dense matter physics. Originating from strongl…
Discovery of Spin-Crossover Candidates with Equivariant Graph Neural Networks and Relevance-Based Classification
Angel Albavera-Mata, Pawan Prakash, Jason B. Gibson +7
Swift discovery of spin-crossover materials for their potential application in quantum information devices requires techniques which enable efficient identification of suitably bis…
High-temperature self-energy corrections to x-ray absorption spectra
Tun S. Tan, J. J. Kas, S. B. Trickey +1
Effects of finite-temperature quasiparticle self-energy corrections to x-ray absorption spectra are investigated within the finite-temperature quasiparticle local density GW approx…
Some Problems in Density Functional Theory
Jeffrey Wrighton, Angel Albavera-Mata, Hector Francisco Rodriguez +4
Though calculations based on density functional theory (DFT) are used remarkably widely in chemistry, physics, materials science, and biomolecular research and though the modern fo…
All-Electron APW+ calculation of magnetic molecules with the SIRIUS domain-specific package
Long Zhang, Anton Kozhevnikov, Thomas Schulthess +2
We report APW+ (augmented plane wave plus local orbital) density functional theory (DFT) calculations of molecule systems using the domain specific SIRIUS multi-functional DF…
Elucidation of the subcritical character of the liquid--liquid transition in dense hydrogen
Valentin V. Karasiev, Joshua Hinz, S. X. Hu +1
The liquid-liquid phase transition in high-pressure Hydrogen is a problem of longstanding and controversy. The recent Nature paper by Cheng et al. [vol. 585, p. 217] makes a set of…