| 2023 | Thomas A. R. Purcell, Matthias Scheffler, Luca M. Ghiringhelli, and Christian Carbogno: Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligence. In: npj Comput. Mater., 9, 2023, 112 |
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| 2023 | Florian Knoop, Thomas A. R. Purcell, Matthias Scheffler, and Christian Carbogno: Anharmonicity in Thermal Insulators: An Analysis from First Principles. In: Phys. Rev. Lett., 130, 2023, 236301 |
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| 2023 | James Dean Matthias Scheffler, Thomas A. R. Purcell, Sergey V. Barabash, Rahul Bhowmik, Timur Bazhirov: Interpretable machine learning for materials design. In: Journal of Materials Research, 38, 2023, 4477 |
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| 2023 | Thomas A. R. Purcell ; Matthias Scheffler ; Luca M. Ghiringhelli: Recent advances in the SISSO method and their implementation in the SISSO++ code. In: J. Chem. Phys., 159, 2023, 114110 |
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| 2022 | Lucas Foppa1,2, Thomas A. R. Purcell, Sergey V. Levchenko, Matthias Scheffler, and Luca M. Ghiringhelli: Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites. In: Phys. Rev. Lett., 129, 2022, 055301 |
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| 2022 | Thomas A. R. Purcell, Matthias Scheffler, Christian Carbogno, and Luca M. Ghiringhelli: SISSO++: A C++ Implementation of the Sure-Independence Screening and Sparsifying Operator Approach. In: J. Open Source Softw., 7, 2022, 3960 |
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| 2020 | Knoop, Florian and Purcell, Thomas A R and Scheffler, Matthias and Carbogno, Christian: Anharmonicity Measure for Materials. In: Physical Review Materials, 4, 2020, 083809 |
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| 2020 | Knoop, Florian and Purcell, Thomas and Scheffler, Matthias and Carbogno, Christian: {FHI-vibes: Ab Initio Vibrational Simulations}. In: J. Open Source Softw., 5, 2020, 2671 |
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