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Siesta: Recent developments and applications.
J Chem Phys. 2020 May 29;152(20):204108. doi: 10.1063/5.0005077.
J Chem Phys. 2020.
PMID: 32486661
Complex band structure with non-orthogonal basis set: analytical properties and implementation in the SIESTA code.
Bosoni E, Sanvito S.
Bosoni E, et al.
J Phys Condens Matter. 2021 Dec 23;34(10). doi: 10.1088/1361-648X/ac413d.
J Phys Condens Matter. 2021.
PMID: 34879354
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Molecular Dynamics Simulations of Asphaltene Aggregation: Machine-Learning Identification of Representative Molecules, Molecular Polydispersity, and Inhibitor Performance.
Pétuya R, Punase A, Bosoni E, de Oliveira Filho AP, Sarria J, Purkayastha N, Wylde JJ, Mohr S.
Pétuya R, et al. Among authors: bosoni e.
ACS Omega. 2023 Jan 27;8(5):4862-4877. doi: 10.1021/acsomega.2c07120. eCollection 2023 Feb 7.
ACS Omega. 2023.
PMID: 36777594
Free PMC article.
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