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Thomas A. r. Purcell

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Journal Articles

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2022
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  - journals/jossw/PurcellSCG22
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  - https://dblp.org/rec/journals/jossw/PurcellSCG22
Thomas A. r. Purcell, Matthias Scheffler, Christian Carbogno, Luca M. Ghiringhelli:
SISSO++: A C++ Implementation of the Sure-Independence Screening and Sparsifying Operator Approach. J. Open Source Softw. 7(71): 3960 (2022)
2020
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  - journals/jossw/KnoopPSC20
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  - https://dblp.org/rec/journals/jossw/KnoopPSC20
Florian Knoop, Thomas A. r. Purcell, Matthias Scheffler, Christian Carbogno:
FHI-vibes: _Ab Initio_ Vibrational Simulations. J. Open Source Softw. 5(55): 2671 (2020)

Informal and Other Publications

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2025
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  - journals/corr/abs-2502-20072
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Sebastian Eibl, Yi Yao, Matthias Scheffler, Markus Rampp, Luca M. Ghiringhelli, Thomas A. r. Purcell:
A high-performance and portable implementation of the SISSO method for CPUs and GPUs. CoRR abs/2502.20072 (2025)
2024
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  - journals/corr/abs-2409-11808
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Kisung Kang, Thomas A. r. Purcell, Christian Carbogno, Matthias Scheffler:
Accelerating the Training and Improving the Reliability of Machine-Learned Interatomic Potentials for Strongly Anharmonic Materials through Active Learning. CoRR abs/2409.11808 (2024)

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