Atomistic simulations of out-of-equilibrium quantum nuclear dynamics

Abstract 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 experiments is extremely challenging due to the complex nonlinear responses in systems where lattice excitations...

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Bibliographic Details
Main Authors: Francesco Libbi, Anders Johansson, Lorenzo Monacelli, Boris Kozinsky
Format: Article
Language:English
Published: Nature Portfolio 2025-04-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01588-4
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