LoGAN: local generative adversarial network for novel structure prediction

The efficient generation and filtering of candidate structures for new materials is becoming increasingly important as starting points for computational studies. In this work, we introduce an approach to Wasserstein generative adversarial networks for predicting unique crystal and molecular structur...

書誌詳細
出版年:	Machine Learning: Science and Technology
主要な著者:	Péter Kovács, Esther Heid, Jasper De Landsheere, Georg K H Madsen
フォーマット:	論文
言語:	英語
出版事項:	IOP Publishing 2024-01-01
主題:	WGAN structure prediction local descriptors
オンライン･アクセス:	https://doi.org/10.1088/2632-2153/ad7a4d

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