Jan 5, 2022 · We present an inverse-design framework for generative design of materials. The invertible crystal representation includes real- and reciprocal-space features.
Nov 2, 2023 · An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties. Matter 5, 314–335 ...
A generalized invertible representation that encodes the crystallographic information into the descriptors in both real space and reciprocal space is ...
The synthesis methods, crystal structures, and properties of anhydrous monazite and xenotime (REPO4) crystalline materials are summarized within this review.
Mar 2, 2022 · We introduce a general inverse design framework, called Fourier-transformed crystal properties (FTCP), which maps real- and reciprocal-space ...
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Dec 22, 2021 · General inverse design is made possible by a representation that combines .cif-like real-space features of the material, which guarantee ...
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May 22, 2023 · An invertible, invariant crystallographic representation for inverse design of solid-state materials using generative deep learning.
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An Invertible Crystallographic Representation for General Inverse Design of Inorganic Crystals with Targeted Properties ... To read the full-text of this research ...
Inverse design of crystal structures for multicomponent systems
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Jun 1, 2022 · We developed an inverse design framework, constrained crystal deep convolutional generative adversarial networks (CCDCGAN), enabling automated generation of ...
An invertible, invariant crystal representation for inverse design of solid-state materials using generative deep learning · Crystal-GFN: sampling crystals with ...
Missing: generalized | Show results with:generalized