Jan 5, 2022 · The general inverse design framework proposed here features a generalized invertible representation, accessing both chemistry and structure ...
May 15, 2020 · ... crystal structures), featuring a generalized invertible representation that encodes crystals in both real and reciprocal space, and a ...
A generalized invertible representation that encodes the crystallographic information into the descriptors in both real space and reciprocal space is ...
Nov 2, 2023 · A generalized method for constructing hypothetical nanoporous materials of any net topology from graph theory. CrystEngComm 18, 3777–3792 ...
Request PDF | Inverse design of crystals using generalized invertible crystallographic representation | Deep learning has fostered many novel applications ...
This document presents a method for inverse design of crystals using a generalized invertible crystallographic representation within a variational autoencoder ...
This is challenging due to limited data availability and the complexity of 3D periodic crystal structures. In this paper, we present a generalized invertible ...
An Invertible Crystallographic Representation for General Inverse ...
papers.ssrn.com › sol3 › papers
Jun 8, 2021 · Herein, we present a generalized framework for inverse design of crystals with user-defined properties, which include both ground-state and ...
Herein, we present a framework capable of general inverse design (not limited to a given set of elements or crystal structures), featuring a generalized ...
Inverse design of crystals using generalized invertible crystallographic representation. Click To Get Model/Code. Deep learning has fostered many novel ...