Professor Alexandre Reily Rocha


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Publicações de Alexandre Reily Rocha


Gomes-Filho, Márcio S.; Torres, Alberto; Rocha, Alexandre Reily; Pedroza, Luana S.

Size and Quality of Quantum Mechanical Data Set for Training Neural Network Force Fields for Liquid Water Journal Article

Em: The Journal of Physical Chemistry B, vol. 127, não 6, pp. 1422-1428, 2023, (PMID: 36730848).

Resumo | Links | BibTeX | Tags:

Padilha, Antonio Claudio Michejevs; Rocha, Alexandre Reily; Dalpian, Gustavo M.

17 – Ordered vacancy compounds: the case of the Mangéli phases of TiO2 Book Section

Em: Kumar, Vijay; Som, Sudipta; Sharma, Vishal; Swart, Hendrik C. (Ed.): Metal Oxide Defects, pp. 533-565, Elsevier, 2023, ISBN: 978-0-323-85588-4.

Resumo | Links | BibTeX | Tags: Computational simulation, Density functional theory, DFT, Magnéli phases, Memristive devices, Memristor, Titanium oxide

Amorim, Felippe P.; Torres, Alberto; Villegas, Cesar E. P.; Rocha, Alexandre Reily

Gate voltage enhances the thermoelectric transport of quantum dots in graphene nanoribbons Journal Article

Em: Computational Materials Science, vol. 227, pp. 112207, 2023, ISSN: 0927-0256.

Resumo | Links | BibTeX | Tags: 7-14-7 AGNR, Gate voltage enhances, Quantum dots in graphene, Thermoelectric transport