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cs.LG2024★ 1 cited
Efficient Symmetry-Aware Materials Generation via Hierarchical Generative Flow Networks
Tri Minh Nguyen, Sherif Abdulkader Tawfik, Truyen Tran +3
Discovering new solid-state materials requires rapidly exploring the vast space of crystal structures and locating stable regions. Generating stable materials with desired properti…
cond-mat.mtrl-sci2024
Embedding material graphs using the electron-ion potential: application to material fracture
Sherif Abdulkader Tawfik, Tri Minh Nguyen, Salvy P. Russo +3
At the heart of the flourishing field of machine learning potentials are graph neural networks, where deep learning is interwoven with physics-informed machine learning (PIML) arch…