290 citations · 3.3k across the 60 of their papers we have counts for
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Quantum symmetrization transition in superconducting sulfur hydride from quantum Monte Carlo and path integral molecular dynamics
Romain Taureau, Marco Cherubini, Tommaso Morresi +1
We study the structural phase transition, originally associated with the highest superconducting critical temperature measured in high-pressure sulfur hydride. A quantitative…
Order from disorder phenomena in BaCoS
Benjamin Lenz, Michele Fabrizio, Michele Casula
At the layered insulator BaCoS transitions to a columnar antiferromagnet that signals non-negligible magnetic frustration despite the relatively high $…
Two-dimensional fluctuations and competing phases in the stripe-like antiferromagnet BaCoS
Haneen Abushammala, Benjamin Lenz, Benoit Baptiste +5
By means of a combined x-ray diffraction, magnetic susceptibility and specific heat study, we investigate the interplay between orthorhombic distortion and stripe-like antiferromag…
Principal deuterium Hugoniot via Quantum Monte Carlo and -learning
Giacomo Tenti, Kousuke Nakano, Andrea Tirelli +2
We present a study of the principal deuterium Hugoniot for pressures up to GPa, using Machine Learning potentials (MLPs) trained with Quantum Monte Carlo (QMC) energies, forc…
Ground-state properties of the narrowest zigzag graphene nanoribbon from quantum Monte Carlo and comparison with density functional theory
Raghavendra Meena, Guanna Li, Michele Casula
By means of quantum Monte Carlo (QMC) calculations from first principles, we study the ground-state properties of the narrowest zigzag graphene nanoribbon, with an infinite linear…
Photo-induced Dirac cone flattening in BaNiS
Nikolaj Bittner, Denis Golež, Michele Casula +1
Using a real-time implementation of the self-consistent method, we theoretically investigate the photo-induced changes in the electronic structure of the quasi two-dimensional…