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Unconstrained learning of equivariant atomistic properties
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Joseph W. Abbott,1 Paolo Pegolo,1 Pol Febrer,1 Michelangelo Domina,1 SandraSaade,1 Matthias Kellner,1 Filippo Bigi,1 Philip Loche, 1,2,3,4 and Michele Ceriotti1,*Laboratory of Computational Science and Modeling, Institut des Materiaur, Ecole Polytechnique Federale de Lausanne, 1015 Lausanne, Switzerland 2 Department of Physics, Technical University of Munich 3 Atomistic Modelling Center, Munich Data Science Institute, Technical University of Munich A Munich Center for Machine Learning (MCML) |
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(2025-6-4)
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