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University Alliance Ruhr And Interdisciplinary Centre for Advanced Materials Simulation
Scholars
4
Papers
2
Citations
0
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System-conditioned reparameterization of the SCAN functional for accurate bandgaps: from analytical constraints to machine learning
npj Computational Materials
IF
11.9
2026-03-07
0
OA
AI
Viviana Dovale-Farelo; Pedram Tavadze; Miguel A. L. Marques; Srinjoy Das; Kamal Choudhary; Alejandro Bautista-Hernández; Aldo H. Romero
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A generative material transformer using Wyckoff representation
npj Computational Materials
IF
11.9
2026-01-23
0
OA
AI
Pierre-Paul De Breuck; Hashim A. Piracha; Gian-Marco Rignanese; Miguel A. L. Marques
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