2.1k citations · 3.5k across the 51 of their papers we have counts for
51 papers
Competing lattice structures induced by Sn substitution in CsVSb
Anshu Kataria, Ilija K. Nikolov, Armando Consiglio +8
Understanding the effect of chemical substitution on competing phases of kagome metals is crucial for disentangling the interplay between local structural distortions and electroni…
Evolving charge order in the CDW state of AVSb metals
Anshu Kataria, Francis Pratt, Peter J. Baker +7
AVSb kagome metals are characterized by intertwined electronic and structural orders, which motivated extensive studies in recent years. Yet the details of the electronic s…
Score-based diffusion models for accurate crystal-structure inpainting and reconstruction of hydrogen positions
Timo Reents, Arianna Cantarella, Marnik Bercx +2
Generative AI models, such as score-based diffusion models, have recently advanced the field of computational materials science by enabling the generation of new materials with des…
Observation of ubiquitous charge correlations and hidden quantum critical point in hole-doped kagome superconductors
Ilija K. Nikolov, Giuseppe Allodi, Adrien Rosuel +9
The interplay between superconductivity and charge-density wave (CDW) order, and its evolution with carrier density, is central to the physics of many quantum materials, notably hi…
Magnetic behavior of the Re-based double perovskite SrZnReO
Muhammad Maikudi Isah, Biswajit Dalal, Xun Kang +9
The subtle interplay between spin-orbit coupling, exchange interactions, and cation ordering can lead to exotic magnetic states in transition-metal ions. We report a comprehensive…
Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app
Xing Wang, Edan Bainglass, Miki Bonacci +23
Despite the wide availability of density functional theory (DFT) codes, their adoption by the broader materials science community remains limited due to challenges such as software…