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178 papers · 1 filter
Iterative learning scheme for crystal structure prediction with anharmonic lattice dynamics
Hao Gao, Yue-Wen Fang, Ion Errea
First-principles based crystal structure prediction (CSP) methods have revealed an essential tool for the discovery of new materials. However, in solids close to displacive phase t…
J-PAS: First Identification, Physical Properties and Ionization Efficiency of Extreme Emission Line Galaxies
A. Giménez-Alcázar, R. Amorín, J. M. Vílchez +32
Extreme emission line galaxies (EELGs) are key tracers of intense star formation and potential analogues of the sources that reionized the early Universe. Their low-redshift counte…
The effect of baryons on the positions and velocities of satellite galaxies in the MTNG simulation
Sergio Contreras, Raul E. Angulo, Sownak Bose +5
Mock galaxy catalogues are often constructed from dark-matter-only simulations based on the galaxy-halo connection. Although modern mocks can reproduce galaxy clustering to some ex…
Configurable antiferromagnetic domains and lateral exchange bias in atomically thin CrPS4
Yu-Xuan Wang, Thomas K. M. Graham, Ricardo Rama-Eiroa +12
Interfacial exchange coupling between antiferromagnets (AFMs) and ferromagnets (FMs) crucially makes it possible to shift the FM hysteresis, known as exchange bias, and to switch A…
Identification and optimization of accurate spin models for Fermi-Hubbard ladders using matrix product states
Andoni Agirre, Thomas Frederiksen, Geza Giedke +1
Open-shell nanographenes offer a controlled setting to study correlated magnetism emerging from -electron systems. Here, we study non-bipartite Fermi-Hubbard ladders describing…
Thermodynamical study of N clathrate hydrate from DFT calculations
L. Martin-Gondre, V. Meko Fotso, C. Métais +3
Thermodynamic stability of N clathrate hydrates in the sI and sII structures is investigated using density functional theory with several exchange-correlation functionals, expl…