Max Planck Institute for Sustainable Materials

Artificial Intelligence for Materials Science

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Project Group Leader

Dr. Anurag Bajpai

Project Group Leader +49 211 6792 839 a.bajpai@...

Key Publications

Rao, Z.; Li, Y.; Zhang, H.; Colnaghi, T.; Marek, A.; Rampp, M.; Gault, B.: Direct recognition of crystal structures via three-dimensional convolutional neural networks with high accuracy and tolerance to random displacements and missing atoms. Scripta Materialia 234, 115542 (2023)

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DOI

Pei, Z.; Yin, J.; Liaw, P. K.; Raabe, D.: Toward the design of ultrahigh-entropy alloys via mining six million texts. Nature Communications 14, 54 (2023)

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publisher-version

Rao, Z.; Tung, P.-Y.; Xie, R.; Wei, Y.; Zhang, H.; Ferrari, A.; Klaver, T. P. C.; Körmann, F.; Prithiv, T. S.; Kwiatkowski da Silva, A. et al.; Chen, Y.; Li, Z.; Ponge, D.; Neugebauer, J.; Gutfleisch, O.; Bauer, S.; Raabe, D.: Machine learning–enabled high-entropy alloy discovery. Science 378 (6615), pp. 78 - 85 (2022)

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Mianroodi, J. R.; Rezaei, S.; Hamidi Siboni, N.; Xu, B.-X.; Raabe, D.: Lossless Multi-Scale Constitutive Elastic Relations with Artificial Intelligence. arXiv (2021)

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Zhou, X.; Wei, Y.; Kühbach, M. T.; Zhao, H.; Vogel, F.; Kamachali, R. D.; Thompson, G. B.; Raabe, D.; Gault, B.: Revealing in-plane grain boundary composition features through machine learning from atom probe tomography data. Acta Materialia 226, 117633 (2022)

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publisher-version

Mianroodi, J. R.; Hamidi Siboni, N.; Raabe, D.: Teaching solid mechanics to artificial intelligence—a fast solver for heterogeneous materials. npj Computational Materials 7, 99 (2021)

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publisher-version

Anurag Bajpai, Ziyuan Rao, Abhinav Dixit, Krishanu Biswas, Dierk Raabe

Interpretable Machine Learning for High-Strength High-Entropy Alloy Design

ArXiv