activity
20062025
most citedThe Variational Quantum Eigensolver: a review of methods and best practices

1.1k citations · 3.9k across the 66 of their papers we have counts for

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Showing 2014Show all

6 papers · 1 filter

cond-mat.mes-hall2014

Phenomenology of Andreev reflection from first-principles transport theory

Awadhesh Narayan, Ivan Rungger, Stefano Sanvito

We study Andreev reflection in normal metal-superconductor junctions by using an extended Blonder-Tinkham-Klapwijk model combined with transport calculations based on density funct…

cond-mat.mes-hall2014

Stretching of BDT-gold molecular junctions: thiol or thiolate termination?

Amaury de Melo Souza, Ivan Rungger, Renato Borges Pontes +4

It is often assumed that the hydrogen atoms in the thiol groups of a benzene-1,4-dithiol dissociate when Au-benzene-1,4-dithiol-Au junctions are formed. We demonstrate, by stabilit…

cond-mat.mtrl-sci2014★ 20 cited

Electronic and magnetic properties of Ti4O7 predicted by self-interaction corrected density functional theory

Xiaoliang Zhong, Ivan Rungger, Peter Zapol +1

Understanding electronic properties of sub-stoichiometric phases of titanium oxide such as Magnéli phase Ti4O7 is crucial in designing and modeling resistive switching devices. Her…

cond-mat.mes-hall2014★ 8 cited

Single atom anisotropic magnetoresistance on a topological insulator surface

Awadhesh Narayan, Ivan Rungger, Stefano Sanvito

We demonstrate single atom anisotropic magnetoresistance on the surface of a topological insulator, arising from the interplay between the helical spin-momentum-locked surface elec…

cond-mat.mes-hall2014★ 109 cited

Efficient spin injection and giant magnetoresistance in Fe/MoS/Fe junctions

Kapildeb Dolui, Awadhesh Narayan, Ivan Rungger +1

We demonstrate giant magnetoresistance in Fe/MoS/Fe junctions by means of \textit{ab-initio} transport calculations. We show that junctions incorporating either a mono- or a bi…

cond-mat.mes-hall2014★ 17 cited

Ab-initio transport across Bismuth Selenide surface barriers

Awadhesh Narayan, Ivan Rungger, Andrea Droghetti +1

We investigate the effect of potential barriers in the form of step edges on the scattering properties of BiSe(111) topological surface states by means of large-scale ab-in…