85 citations · 198 across the 8 of their papers we have counts for
8 papers
Quantum annealing for materials
Alfredo Fiorentino, Nicola Marzari
Finding the global minimum of a potential energy surface is a fundamental challenge in materials science, with applications ranging from protein folding to cluster physics and, mor…
Rashba engineering at van der Waals interfaces
Rahul Sharma, Soumya Mukherjee, Fatima Ibrahim +26
Two-dimensional transition metal dichalcogenide (TMD) interfaces offer a versatile platform for studying emergent quantum phenomena and enabling novel device functionalities. When…
Dynamical pseudopotentials
Matteo Quinzi, Tommaso Chiarotti, Nicola Marzari
Pseudopotential theory has greatly driven first-principles calculations in materials, replacing the explicit treatment of the chemically inert core electrons with an effective pote…
Probing the real-space density of spin-entangled electrons
Federico Pisani, Leonie Spitz, Libor Vojáček +12
On the textbook example of an isolated antiferromagnetic Heisenberg dimer, we demonstrate that the magnetic form factor and the magnetic electron density distribution can be extrac…
Spin structures and phase diagrams of the spin- triangular-lattice antiferromagnet NaBaMn(PO) under magnetic field
N. Biniskos, F. J. dos Santos, M. Stekiel +7
We combine single-crystal neutron diffraction studies and Monte Carlo simulations to determine the spin structures and finite-temperature phase diagram of the spin-5/2 triangular-l…
Playing quantum hide-and-seek with the muon: localizing muon stopping sites
J. S. Möller, P. Bonfà, D. Ceresoli +8
One of the most fundamental limitations of a muon-spin relaxation experiment can be the lack of knowledge of the implantation site of the muon and the uncertainty about the muon's…