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Inverse Design of Amorphous Materials With Targeted Properties

open access: yesAdvanced Materials, EarlyView.
AMDEN is a diffusion model framework for the inverse design of amorphous materials with targeted properties. By incorporating Hamiltonian Monte Carlo refinement into the denoising process, the framework overcomes the challenge of generating thermally relaxed disordered structures.
Jonas A. Finkler   +4 more
wiley   +1 more source

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