Jan 5, 2022 · Herein, we present a framework capable of general inverse design (not limited to a given set of elements or crystal structures), featuring a ...
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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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), ...
This document presents a method for inverse design of crystals using a generalized invertible crystallographic representation within a variational autoencoder ...
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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