1.5k citations · 4.7k across the 35 of their papers we have counts for
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Accelerating discovery across scientific disciplines through reproducible workflows with AiiDAlab
Aliaksandr V. Yakutovich, Daniel Hollas, Edan Bainglass +16
With ever-increasing computational capabilities, robust and automated research workflows have become essential for orchestrating large numbers of interdependent simulations. Howeve…
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…
Optimized Synthesis and Device Integration of Long 17-Atom-Wide Armchair Graphene Nanoribbons
Jeong Ha Hwang, Nicolò Bassi, Mayada Fadel +15
Seventeen-carbon-atom-wide armchair graphene nanoribbons (17-AGNRs) are promising candidates for high-performance electronic devices due to their narrow electronic bandgap. Atomic…
Sensing a magnetic rare-earth surface alloy by proximity effect with an open-shell nanographene
Nicolò Bassi, Jan Wilhelm, Nils Krane +10
Open-shell nanographenes have attracted significant attention due to their structurally tunable spin ground state. While most characterization has been conducted on weakly-interact…
BaZrS Lights Up: The Interplay of Electrons, Photons, and Phonons in Strongly Luminescent Single Crystals
Rasmus Svejstrup Nielsen, Ángel Labordet Álvarez, Yvonne Tomm +8
Chalcogenide perovskites have emerged as a promising class of materials for the next generation of optoelectronic applications, with BaZrS attracting significant attenti…