36 citations · 42 across the 4 of their papers we have counts for
4 papers
Pushing the Limits of Quantum Computing for Simulating PFAS Chemistry
Emil Dimitrov, Goar Sanchez-Sanz, James Nelson +10
Accurate and scalable methods for computational quantum chemistry can accelerate research and development in many fields, ranging from drug discovery to advanced material design. S…
Single-molecule enhanced spin-flip detection
M. Ormaza, N. Bachellier, M. N. Faraggi +9
We studied the spin-flip excitations of a double-decker nickelocene molecule (Nc) adsorbed on Cu(100) by means of inelastic tunneling spectroscopy (IETS), X-ray magnetic circular d…
Modeling Ferro- and Antiferromagnetic Interactions in Metal-Organic Coordination Networks
Marisa N. Faraggi, Vitaly N. Golovach, Sebastian Stepanow +7
Magnetization curves of two rectangular metal-organic coordination networks formed by the organic ligand TCNQ (7,7,8,8-tetracyanoquinodimethane) and two different (Mn and Ni) 3d tr…
Influence of the surface band structure on electron emission spectra from metal surfaces
C. D. Archubi, M. Faraggi, V. M. Silkin +1
Electron distributions produced by grazing impact of fast protons on Mg(0001), Cu(111), Ag(111) and Au(111) surfaces are investigated, focusing on the effects of the electronic ban…