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Maximum volume simplex method for automatic selection and classification of atomic environments and environment descriptor compression.
J Chem Phys. 2020 Dec 7;153(21):214104. doi: 10.1063/5.0030061.
J Chem Phys. 2020.
PMID: 33291895
Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions.
Parsaeifard B, Goedecker S.
Parsaeifard B, et al.
J Chem Phys. 2022 Jan 21;156(3):034302. doi: 10.1063/5.0070488.
J Chem Phys. 2022.
PMID: 35065570
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Surface reconstructions and premelting of the (100) CaF2 surface.
Faraji S, Ghasemi SA, Parsaeifard B, Goedecker S.
Faraji S, et al. Among authors: parsaeifard b.
Phys Chem Chem Phys. 2019 Jul 24;21(29):16270-16281. doi: 10.1039/c9cp02213a.
Phys Chem Chem Phys. 2019.
PMID: 31304491
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Response to "Comment on 'Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions'" [J. Chem. Phys. 156, 034302 (2022)].
Parsaeifard B, Krummenacher M, Goedecker S.
Parsaeifard B, et al.
J Chem Phys. 2022 Nov 7;157(17):177102. doi: 10.1063/5.0099525.
J Chem Phys. 2022.
PMID: 36347681
No abstract available.
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