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Author

Ying-Wai Li

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Preprint Aug 2026

Discovery of novel magnetic Y-Mn-B compounds via advanced machine learning guided framework

Rare-earth transition-metal borides offer critical structural motifs for permanent-magnet design; however, the manganese-rich regions within these compositional phase spaces remain largely unexplored. In this work, we develop an advanced machine-learning-assisted discovery framework to explore Y-Mn-B ternary system. St...

Wei-Yi Xia, Shen Wei, Maxim Moraru et al. · 0 citations
Aug 2026

ALF: Open-Source Active Learning Framework for Atomistic Modeling.

The Active Learning Framework (ALF), an open-source Python package designed to streamline the design and deployment of MLIP training datasets on High Performance Computing resources, is introduced, illustrating ALF’s effectiveness in compiling datasets that capture essential chemical and structural regimes.

V. Grizzi, P. Lohr, Nikita Fedik et al. · 1 citation

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