19 citations · 25 across the 7 of their papers we have counts for
8 papers
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…
Direct observation of strain and confinement shaping the hole subbands of Ge quantum wells
Enrico Della Valle, Arianna Nigro, Miki Bonacci +6
Germanium-silicon-germanium (Ge/SiGe) heterostructures have emerged as a promising platform for hole-spin quantum technologies and high-mobility electronics, where st…
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…
Automated computational workflows for muon spin spectroscopy
Ifeanyi J. Onuorah, Miki Bonacci, Muhammad M. Isah +4
Positive muon spin rotation and relaxation spectroscopy is a well established experimental technique for studying materials. It provides a local probe that generally complements sc…
Quenching of low-energy optical absorption in bilayer CN polytypes
Matteo Zanfrognini, Miki Bonacci, Fulvio Paleari +5
In this work we provide a first principles description of the electronic and optical properties of bilayers CN, with different stacking motifs AB, AB and AA. Starting fro…
Towards high-throughput many-body perturbation theory: efficient algorithms and automated workflows
Miki Bonacci, Junfeng Qiao, Nicola Spallanzani +6
The automation of ab initio simulations is essential in view of performing high-throughput (HT) computational screenings oriented to the discovery of novel materials with desired p…
Excitonic effects in graphene-like CN
Miki Bonacci, Matteo Zanfrognini, Elisa Molinari +4
Monolayer CN is an emerging two-dimensional indirect band gap semiconductor with interesting mechanical, thermal, and electronic properties. In this work we present a descripti…