Jan 5, 2022 · We present an inverse-design framework for generative design of materials. The invertible crystal representation includes real- and reciprocal-space features.
May 15, 2020 · We present a framework capable of general inverse design (not limited to a given set of elements or crystal structures), featuring a generalized invertible ...
May 15, 2020 · A generalized invertible representation that encodes the crystallographic information into the descriptors in both real space and reciprocal ...
Nov 2, 2023 · We have developed a simplified line-input crystal-encoding system (SLICES), which is a string-based crystal representation that satisfies both invertibility ...
Inverse design of crystals using generalized invertible crystallographic representation. May 2020. Authors: Zekun Ren at Singapore-MIT Alliance for Research ...
This document presents a method for inverse design of crystals using a generalized invertible crystallographic representation within a variational autoencoder ...
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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Herein, we present a framework capable of general inverse design (not limited to a given set of elements or crystal structures), featuring a generalized ...
[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 ...