85 citations · 198 across the 8 of their papers we have counts for
4 papers · 1 filter
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…