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 ...
A generalized invertible representation that encodes the crystallographic information into the descriptors in both real space and reciprocal space is ...
Nov 2, 2023 · We demonstrate the application of SLICES in the inverse design of direct narrow-gap semiconductors for optoelectronic applications. As a string- ...
The synthesis methods, crystal structures, and properties of anhydrous monazite and xenotime (REPO4) crystalline materials are summarized within this review.
"An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties." Matter, 5 (3). Version: Author's ...
Missing: generalized | Show results with:generalized
Mar 2, 2022 · We introduce a general inverse design framework, called Fourier-transformed crystal properties (FTCP), which maps real- and reciprocal-space ...
Missing: generalized | Show results with:generalized
This document presents a method for inverse design of crystals using a generalized invertible crystallographic representation within a variational autoencoder ...
[21][22][23][24][25] In a recent work, Ren et al. 26 proposed an invertible crystallographic representation for general inverse design of inorganic crystals ...
An Invertible Crystallographic Representation for General Inverse ...
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Jun 8, 2021 · Herein, we present a generalized framework for inverse design of crystals with user-defined properties, which include both ground-state and ...
May 15, 2020 · Deep learning has fostered many novel applications in materials informatics. However, the inverse design of inorganic crystals, ...