Scaling law of Sim2Real transfer learning in expanding computational materials databases for real-world predictions

Abstract To address the challenge of limited experimental materials data, extensive physical property databases are being developed based on high-throughput computational experiments, such as molecular dynamics simulations. Previous studies have shown that fine-tuning a predictor pretrained on a com...

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Bibliographic Details
Main Authors: Shunya Minami, Yoshihiro Hayashi, Stephen Wu, Kenji Fukumizu, Hiroki Sugisawa, Masashi Ishii, Isao Kuwajima, Kazuya Shiratori, Ryo Yoshida
Format: Article
Language:English
Published: Nature Portfolio 2025-05-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01606-5
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