Uncertainty quantification by direct propagation of shallow ensembles by Matthias Kellner, Michele Ceriotti

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Machine Learning at the Atomic Scale by Félix Musil, Michele Ceriotti

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Probing the effects of broken symmetries in machine learning by Marcel F Langer, Sergey N Pozdnyakov, Michele Ceriotti

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A prediction rigidity formalism for low-cost uncertainties in trained neural networks by Filippo Bigi, Sanggyu Chong, Michele Ceriotti, Federico Grasselli

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Using Gaussian process regression to simulate the vibrational Raman spectra of molecular crystals by Nathaniel Raimbault, Andrea Grisafi, Michele Ceriotti, Mariana Rossi

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Atomic Motif Recognition in (Bio)Polymers: Benchmarks From the Protein Data Bank by Benjamin A. Helfrecht, Piero Gasparotto, Federico Giberti, Michele Ceriotti

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Thermally-nucleated self-assembly of water and alcohol into stable structures at hydrophobic interfaces by Kislon Voïtchovsky, Daniele Giofrè, Juan José Segura, Francesco Stellacci, Michele Ceriotti

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Completeness of atomic structure representations by Jigyasa Nigam, Sergey N. Pozdnyakov, Kevin K. Huguenin-Dumittan, Michele Ceriotti

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Local invertibility and sensitivity of atomic structure-feature mappings [version 1; peer review: 2 approved] by Sergey N. Pozdnyakov, Liwei Zhang, Christoph Ortner, Gábor Csányi, Michele Ceriotti

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Thermodynamics and dielectric response of BaTiO3 by data-driven modeling by Lorenzo Gigli, Max Veit, Michele Kotiuga, Giovanni Pizzi, Nicola Marzari, Michele Ceriotti

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Electronic Excited States from Physically Constrained Machine Learning by Edoardo Cignoni, Divya Suman, Jigyasa Nigam, Lorenzo Cupellini, Benedetta Mennucci, Michele Ceriotti

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Author Correction: Simulating the ghost: quantum dynamics of the solvated electron by Jinggang Lan, Venkat Kapil, Piero Gasparotto, Michele Ceriotti, Marcella Iannuzzi, Vladimir V. Rybkin

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Chemical shifts in molecular solids by machine learning by Federico M. Paruzzo, Albert Hofstetter, Félix Musil, Sandip De, Michele Ceriotti, Lyndon Emsley

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Transferable Machine-Learning Model of the Electron Density by Andrea Grisafi, Alberto Fabrizio, Benjamin Meyer, David M. Wilkins, Clemence Corminboeuf, Michele Ceriotti

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Simulating the ghost: quantum dynamics of the solvated electron by Jingang Lan, Venkat Kapil, Piero Gasparotto, Michele Ceriotti, Marcella Iannuzzi, Vladimir V. Rybkin

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Surface segregation in high-entropy alloys from alchemical machine learning by Arslan Mazitov, Maximilian A Springer, Nataliya Lopanitsyna, Guillaume Fraux, Sandip De, Michele Ceriotti

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Mapping uncharted territory in ice from zeolite networks to ice structures by Edgar A. Engel, Andrea Anelli, Michele Ceriotti, Chris J. Pickard, Richard J. Needs

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scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science [version 2; peer review: 2 approved, 1 approved with reservations] by Philip Loche, Alexander Goscinski, Guillaume Fraux, Victor Paul Principe, Benjamin Aaron Helfrecht, Sergei Kliavinek, Michele Ceriotti, Rose Kathleen Cersonsky

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