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Showing 2022 · physics.comp-phShow all
2 papers · 2 filters
physics.comp-ph2022★ 5 cited
A force-based gradient descent method for atomic structure relaxation
Yukuan Hu, Xingyu Gao, Yafan Zhao +2
Force-based algorithms for atomic structure relaxation, such as conjugate gradient methods, usually get stuck in the line minimization processes along s…
physics.comp-ph2022★ 17 cited
Towards Large-Scale and Spatio-temporally Resolved Diagnosis of Electronic Density of States by Deep Learning
Qiyu Zeng, Bo Chen, Xiaoxiang Yu +4
Modern laboratory techniques like ultrafast laser excitation and shock compression can bring matter into highly nonequilibrium states with complex structural transformation, metall…