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cond-mat.mtrl-sci2026★ 2 cited
Scalar machine learning of tensorial quantities -- Born effective charges from monopole models
Bernhard Schmiedmayer, Angela Rittsteuer, Tobias Hilpert +1
Predicting tensorial properties with machine learning models typically requires carefully designed tensorial descriptors. In this work, we introduce an alternative strategy for lea…
cond-mat.mtrl-sci2022★ 57 cited
What Happens at Surfaces and Grain Boundaries of Halide Perovskites: Insights from Reactive Molecular Dynamics Simulations of CsPbI
Mike Pols, Tobias Hilpert, Ivo Filot +3
The commercialization of perovskite solar cells is hindered by the poor long-term stability of the metal halide perovskite (MHP) light absorbing layer. Solution processing, the com…