4 citations · 8 across the 3 of their papers we have counts for
3 papers
TBHubbard: tight-binding and extended Hubbard model database for metal-organic frameworks
Pamela C. Carvalho, Federico Zipoli, Alan C. Duriez +5
Metal-organic frameworks (MOFs) are porous materials composed of metal ions and organic linkers. Due to their chemical diversity, MOFs can support a broad range of applications in…
Exploration of Quantum Computing in Materials Discovery for Direct Air Capture Applications
Marco Antonio Barroca, Rodrigo Neumann Barros Ferreira, Mathias Steiner
Direct air capture (DAC) of carbon dioxide is a promising method for mitigating climate change. Solid sorbents, such as metal-organic frameworks, are currently being tested for DAC…
Tailoring the nucleation of domain walls along multi-segmented cylindrical nanoelements
R. F. Neumann, M. Bahiana, S. Allende +3
The magnetization reversal of three-segment cylindrical nanoelements comprising of alternating nanowire and nanotube sections is investigated by means of Monte Carlo simulations. S…