A latent diffusion model conditioned on the current electron density state can generate future density fields for liquid lithium at 800 K with distributional and structural similarity to AIMD reference data.
Orbital-free density functional theory: An attractive electronic structure method for large-scale first-principles simulations
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Generative Latent Space Dynamics of Electron Density
A latent diffusion model conditioned on the current electron density state can generate future density fields for liquid lithium at 800 K with distributional and structural similarity to AIMD reference data.