most citedAdvancing Nonadiabatic Molecular Dynamics Simulations for Solids: Achieving Supreme Accuracy and Efficiency with Machine Learning

3 citations · 3 across the 1 of their papers we have counts for

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1 paper

physics.comp-ph2024★ 3 cited

Advancing Nonadiabatic Molecular Dynamics Simulations for Solids: Achieving Supreme Accuracy and Efficiency with Machine Learning

Changwei Zhang, Yang Zhong, Zhi-Guo Tao +7

Non-adiabatic molecular dynamics (NAMD) simulations have become an indispensable tool for investigating excited-state dynamics in solids. In this work, we propose a general framewo…