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Nov 2, 2023 · We demonstrate the application of SLICES in the inverse design of direct narrow-gap semiconductors for optoelectronic applications. As a string-based, ...
Jun 25, 2024 · WyCryst generates symmetry-compliant, stable inorganic crystal structures. •. Combines Wyckoff representation, VAE models, and DFT for novel materials ...
Dec 14, 2023 · G., Sun, S., et al. An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties. Matter, 5(1):314– ...
Mar 16, 2024 · An invertible crystallographic representa- tion for general inverse design of inorganic crystals with targeted properties. Matter 5, 314–335 (2022). [46] ...
Nov 22, 2023 · Reliably identifying synthesizable inorganic crystalline materials is an unsolved challenge required for realizing autonomous materials discovery. In this work, ...
Nov 23, 2023 · In this work, we tackle the scalability challenge by developing a unified crystal representation that can represent any crystal structure (UniMat), followed by ...
Mar 26, 2024 · Herein, we present a framework capable of general inverse design (not limited to a given set of elements or crystal stru... View · Predicting ...
Jun 27, 2024 · ; Inverse design of crystals using generalized invertible crystallographic representation. arXiv (Physics.Computational Physics) , June 22, 2020, 2005.07609 ...
Aug 2, 2023 · An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties. Chen C. Ong S.P.