1.5k citations · 2.9k across the 28 of their papers we have counts for
30 papers
Learning Inhomogeneous Heisenberg Hamiltonians in Nanographene Spin Chains
Greta Lupi, Saketh Ravuri, Chenxiao Zhao +9
Inferring microscopic Hamiltonians from experimental data is a central challenge in quantum materials and quantum simulation. In low-dimensional spin systems, exchange interactions…
Exchange interactions and intermolecular hybridization in a spin-1/2 nanographene dimer
N. Krane, E. Turco, A. Bernhardt +8
Phenalenyl is a radical nanographene with triangular shape that hosts an unpaired electron with spin S = 1/2. The open-shell nature of phenalenyl is expected to be retained in cova…
Net electrophilicity as computational route for the choice of favorable ionic liquids in nanoparticle production
Marta Bon, Debora Keller, Rolf Erni +1
In the last years, the potential of using ionic liquids (IL)s as an environment for nanoparticle (NP) synthesis has been demonstrated and in particular, triggering NP formation in…
Platinum contacts for 9-atom-wide armchair graphene nanoribbons
Chunwei Hsu, Michael Rohde, Gabriela Borin Barin +7
Creating a good contact between electrodes and graphene nanoribbons (GNRs) has been a longstanding challenge in searching for the next GNR-based nanoelectronics. This quest require…
Strongly correlated physics in organic open-shell quantum systems
G. Gandus, A. Jayaraj, D. Passerone +3
Strongly correlated physics arises from electron-electron scattering within partially filled orbitals. Organic molecules in open-shell configurations are therefore good candidates…
Efficient and accurate defect level modelling in monolayer MoS via GW+DFT with open boundary conditions
Guido Gandus, Youseung Lee, Leonard Deuschle +2
Within the framework of many-body perturbation theory (MBPT) integrated with density functional theory (DFT), a novel defect-subspace projection GW method, the so-called p-GW, is p…