most citedCombining stochastic density functional theory with deep potential molecular dynamics to study warm dense matter

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physics.plasm-ph2023★ 16 cited

Combining stochastic density functional theory with deep potential molecular dynamics to study warm dense matter

Tao Chen, Qianrui Liu, Yu Liu +2

In traditional finite-temperature Kohn-Sham density functional theory (KSDFT), the well-known orbitals wall restricts the use of first-principles molecular dynamics methods at extr…