Full-scale ab initio simulations of laser-driven atomistic dynamics

Abstract The coupling of excited states and ionic dynamics is the basic and challenging point for the materials response at extreme conditions. In the laboratory, the intense laser produces transient nature and complexity with highly nonequilibrium states, making it extremely difficult and interesti...

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Bibliographic Details
Main Authors: Qiyu Zeng, Bo Chen, Shen Zhang, Dongdong Kang, Han Wang, Xiaoxiang Yu, Jiayu Dai
Format: Article
Language:English
Published: Nature Portfolio 2023-11-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-023-01168-4