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Michele Ceriotti

The dark side of the forces: assessing non-conservative force models for atomistic machine learning

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Dec 16, 2024
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Could ChatGPT get an Engineering Degree? Evaluating Higher Education Vulnerability to AI Assistants

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Aug 07, 2024
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Probing the effects of broken symmetries in machine learning

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Jun 25, 2024
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A prediction rigidity formalism for low-cost uncertainties in trained neural networks

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Mar 04, 2024
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Electronic excited states from physically-constrained machine learning

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Nov 08, 2023
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Physics-inspired Equivariant Descriptors of Non-bonded Interactions

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Aug 25, 2023
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Smooth, exact rotational symmetrization for deep learning on point clouds

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May 30, 2023
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Wigner kernels: body-ordered equivariant machine learning without a basis

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Mar 07, 2023
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Completeness of Atomic Structure Representations

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Feb 28, 2023
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Fast evaluation of real spherical harmonics and their derivatives in Cartesian coordinates

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Feb 16, 2023
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