Scalable machine learning approach to light induced order disorder phase transitions with ab initio accuracy

Abstract While machine learning excels in simulating material thermal properties, its application to order-disorder non-thermal phase transitions induced by visible light has been limited by challenges in accurately describing potential energy surfaces, forces, and vibrational properties in the pres...

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Bibliographic Details
Main Authors: Andrea Corradini, Giovanni Marini, Matteo Calandra
Format: Article
Language:English
Published: Nature Portfolio 2025-05-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01614-5
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