239 citations · 633 across the 17 of their papers we have counts for
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physics.comp-ph2024
Improving density matrix electronic structure method by deep learning
Zechen Tang, Nianlong Zou, He Li +10
The combination of deep learning and ab initio materials calculations is emerging as a trending frontier of materials science research, with deep-learning density functional theory…
physics.comp-ph2024★ 44 cited
Universal materials model of deep-learning density functional theory Hamiltonian
Yuxiang Wang, Yang Li, Zechen Tang +14
Realizing large materials models has emerged as a critical endeavor for materials research in the new era of artificial intelligence, but how to achieve this fantastic and challeng…
physics.comp-ph2024★ 58 cited
Deep-learning density functional perturbation theory
He Li, Zechen Tang, Jingheng Fu +5
Calculating perturbation response properties of materials from first principles provides a vital link between theory and experiment, but is bottlenecked by the high computational c…