14 citations · 14 across the 6 of their papers we have counts for
7 papers
Fast and Accurate Equivariant Foundation Models for Atomistic Simulation
Seán R. Kavanagh, Chuin Wei Tan, Menghang Wang +12
Machine-learned interatomic potentials (MLIPs) have emerged as a transformative tool for computational materials science and chemistry, with universal potentials trained on large a…
Quantum theory of nonlinear phononics
Francesco Libbi, Boris Kozinsky
The recent capability to use THz pulses to control the nuclear quantum degrees of freedom in crystals has opened promising avenues for the advanced manipulation of material propert…
Laser-driven ferroelectricity in via quantum fluctuation quenching
Francesco Libbi, Lorenzo Monacelli, Boris Kozinsky
Similar to other perovskites in its family, exhibits a significant softening of the ferroelectric mode with decreasing temperature, a behavior that typically h…
Exploring Charge Density Waves in two-dimensional NbSe2 with Machine Learning
Norma Rivano, Francesco Libbi, Chuin Wei Tan +8
Niobium diselenide (NbSe) has garnered significant attention due to the coexistence of superconductivity and charge density waves (CDWs) down to the monolayer limit. However, r…
Atomistic simulations of out-of-equilibrium quantum nuclear dynamics
Francesco Libbi, Anders Johansson, Lorenzo Monacelli +1
The rapid advancements in ultrafast laser technology have paved the way for pumping and probing the out-of-equilibrium dynamics of nuclei in crystals. However, interpreting these e…
Ultrafast quantum dynamics in under impulsive THz radiation
Francesco Libbi, Anders Johansson, Boris Kozinsky +1
Ultrafast spectroscopy paved the way for probing transient states of matter produced through photoexcitation. Despite significant advances, the microscopic processes governing the…
Bending rigidity, sound propagation and ripples in flat graphene
Unai Aseginolaza, Josu Diego, Tommaso Cea +7
Despite many of the applications of graphene rely on its uneven stiffness and high thermal conductivity, the mechanical properties of graphene, and in general of all 2D materials,…