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Alice E. A. Allen

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2021
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Alice E. A. Allen, Geneviève Dusson, Christoph Ortner, Gábor Csányi:
Atomic permutationally invariant polynomials for fitting molecular force fields. Mach. Learn. Sci. Technol. 2(2): 25017 (2021)
2019
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  - journals/jcisd/HortonADC19
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Joshua T. Horton, Alice E. A. Allen, Leela S. Dodda, Daniel J. Cole:
QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics. J. Chem. Inf. Model. 59(4): 1366-1381 (2019)

Informal and Other Publications

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2022
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  - journals/corr/abs-2211-11680
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Alice E. A. Allen, Alexandre Tkatchenko:
Constructing Effective Machine Learning Models for the Sciences: A Multidisciplinary Perspective. CoRR abs/2211.11680 (2022)

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