Publicações

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Exemplo em inglês: “This work was produced with the support of <Operacional Center> and it was funded by FCT I.P. under the project Advanced Computing Project <reference>, platform <name>”

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Publicações associadas a projetos CPCA

2022

Publicações cujos resultados foram obtidos com recursos HPC-UÉ

  • Veniero Lenzi, José P. B. Silva, Břetislav Šmíd, Vladimir Matolín, Cosmin M. Istrate, Corneliu Ghica, Judith L. MacManus-Driscoll, Luís Marques. Ferroelectricity induced by oxygen vacancies in rhombohedral ZrO2 thin films. Energy & Environmental Materials. 2022. https://doi.org/10.1002/eem2.12500 (Projeto: CPCA/A1/415075/2021)

Publicações cujos resultados foram obtidos com recursos MACC

  • João M. Santos, Lucas A. Thomaz, Pedro A.A. Assuncao, Luís A. da Silva Cruz, Luís M.N. Távora, Sérgio M.M. Faria, Hierarchical lossless coding of light fields with improved random access, Signal Processing: Image Communication, Volume 105, 2022, 116687, ISSN 0923-5965, https://doi.org/10.1016/j.image.2022.116687 (Projeto: CPCA_A00_6782_2020)
  • Luís, J.P.; Mata, A.I.; Simões,C.J.V.; Brito, R.M.M. Conformational Dynamics of the Soluble and Membrane-Bound Forms of Interleukin-1 Receptor Type-1: Insights into Linker Flexibility and Domain Orientation. Int. J. Mol. Sci. 2022, 23, 2599. https://doi.org/10.3390/ijms23052599
  • A. Riaño, K. Strutyński, M. Liu, C. T. Stoppiello, B. Lerma-Berlanga, A. Saeki, C. Martí-Gastaldo, A. N. Khlobystov, G. Valenti, F. Paolucci, M. Melle-Franco, A. Mateo-Alonso, Angew. Chem. Int. Ed. 2022, 61, e202113657. https://doi.org/10.1002/anie.202113657
  • Zhan, G., Cai, ZF., Strutyński, K. et al. Observing polymerization in 2D dynamic covalent polymers. Nature 603835–840 (2022). https://doi.org/10.1038/s41586-022-04409-6
figure 2
in Zhan et al. 2022
  • Martins, N.M.C.; Covas, D.I.C. Induced Circulation by Plunging and Submerged Jets in Circular Water Storage Tanks Using CFD. Water 2022, 14, 1277. https://doi.org/10.3390/w14081277
  • Rajeev K. Dubey, Manuel Melle-Franco, and Aurelio Mateo-Alonso. Inducing Single-Handed Helicity in a Twisted Molecular Nanoribbon. Journal of the American Chemical Society. 2022.144 (6), 2765-2774. DOI: 10.1021/jacs.1c12385
  • Faroughi, S.A.; Roriz, A.I.;Fernandes, C. A Meta-Model toPredict the Drag Coefficient of a Particle Translating in Viscoelastic Fluids: A Machine Learning Approach. Polymers 2022, 14, 430. https://doi.org/10.3390/polym14030430
  • Fernandes, C., Faroughi, S.A., Ribeiro, R. et al. Finite volume simulations of particle-laden viscoelastic fluid flows: application to hydraulic fracture processes. Engineering with Computers (2022). https://doi.org/10.1007/s00366-022-01626-5

Publicações cujos resultados foram obtidos com recursos INCD

  • A. F. Pina, S. F. Sousa, N. M. F. S. A. Cerqueira, ChemBioChem 2022, 23, e202100555. https://doi.org/10.1002/cbic.202100555
  • Fernandes, H.S., Sousa, S.F. & Cerqueira, N.M.F.S.A. New insights into the catalytic mechanism of the SARS-CoV-2 main protease: an ONIOM QM/MM approach. Mol Divers 26, 1373–1381 (2022). https://doi.org/10.1007/s11030-021-10259-7
  • Bonilla, C., Hernández, A.E.C., Gonçalves, J. et al. Collider signatures of vector-like fermions from a flavor symmetric model. J. High Energ. Phys. 2022, 154. https://doi.org/10.1007/JHEP01(2022)154
  • Rosa A, Cardoso C, Vieira R, Faria R, Oliveira AR, Navarro G and Caldeira RMA (2022) Impact of Flash Flood Events on the Coastal Waters Around Madeira Island: The “Land Mass Effect”. Front. Mar. Sci. 8:749638. doi: 10.3389/fmars.2021.749638
www.frontiersin.org
in Rosa et. al 2022

Publicações cujos resultados foram obtidos com recursos LCA-UC

2021

Publicações cujos resultados foram obtidos com recursos HPC-UÉ

  • V. Lenzi, A. Cavaleiro, F. Fernandes, L. Marques, Diffusion of silver in Titanium Nitride: Insights from density functional theory and molecular dynamics, Applied Surface Science, 556:149738, 2021, https://doi.org/10.1016/j.apsusc.2021.149738 (Projeto: CPCA_A2_5649_2020)
  • J. Coutinho, J. D. Gouveia, T. Makino, T. Ohshima, Ž. Pastuović, L. Bakrač, T. Brodar, and I. Capan. M center in 4H-SiC is a carbon self-interstitia.l. Phys. Rev. B 103, L180102. 2021. https://doi.org/10.1103/PhysRevB.103.L180102 021.149738 (Projeto: CPCA_A0_7277_2020)
in J. Coutinho et. al, 2021

Publicações cujos resultados foram obtidos com recursos MACC

  • Fakhari A., Tukovic Z., Carneiro O.S., and Fernandes C. An Effective Interface Tracking Method for Simulating the Extrudate Swell Phenomenon. Polymers. Apr; 13(8): 1305. 2021. https://doi.org/10.3390/polym13081305 (Projeto: CPCA_A00_6057_2020)
  • Cruz F. and Mota J.,Structure and thermodynamics of empty clathrate hydrates below the freezing point of water. Phys Chem Chem Phys. 23(30):16033-16043. 2021. https://doi.org/10.1039/d1cp00893e (Projeto: CPCA_A2_2613_2020)
  • Fernandes, Célio & Faroughi, Salah Aldin & Ribeiro, Ricardo & Isabel, Ana & Mckinley, Gareth. (2021). Finite Volume Simulations of Particle-laden Viscoelastic Fluid Flows: Application To Hydraulic Fracture Processes. 10.21203/rs.3.rs-1009381/v1 (Projeto: CPCA_A2_6052_2020)
  • Gernot Eichmann, Jan M. Pawlowski, and João M. Silva. Mass generation in Landau-gauge Yang-Mills theory. 2021. Phys. Rev. D 104, 114016. https://doi.org/10.1103/PhysRevD.104.114016 (Projeto: CPCA_A0_7291_2020)
  • Fernandes, I.S., de Brito, M.S.e.C.A., Manrique, Y.A., Dias, M.M., Lopes, J.C.B. and Santos, R.J. (2021), Computational Fluid Dynamics Model of Two-Phase Flow in NETmix Reactors. Chem. Eng. Technol., 44: 2002-2010. https://doi.org/10.1002/ceat.202100245 (Projeto: CPCA_A0_7324_2020)
  • Matos J, Santos RJ, Dias MM andLopes JCB (2021) Mixing in the NETmix Reactor. Front. Chem. Eng. 3:771476. doi: 10.3389/fceng.2021.771476 (Projeto: CPCA_A0_7324_2020)

Publicações cujos resultados foram obtidos com recursos INCD

  • Cereja, R., V. Brotas, J.P.C. Cruz, M. Rodrigues & A.C. Brito. Tidal and physicochemical effects on phytoplankton community variability at Tagus estuary (Portugal). Frontiers in Marine Science, 8: 675699. 2021.https://doi.org/10.3389/fmars.2021.675699 (Projeto: CPCA_A2_7255_2020)
  • França, S., V.F. Fonseca, S.E. Tanner, R.P. Vasconcelos, P. Reis-Santos, A. Maia, M. Ruano, I. Cardoso, S. Henriques, M.P. Pais, P. Brandão, A.C. Brito, P. Castellanos, P. Chainho, B. Quintella, L. Costa, M.J. Costa, J.L. Costa & H.N. Cabral. Historical data in the CoastNet Geoportal: documenting fish assemblages in Portuguese estuaries. Frontiers in Marine Science, 8: 685294. 2021. https://doi.org/10.3389/fmars.2021.685294 (Projeto: CPCA_A2_7255_2020)
  • Bonilla C.,Carcamo Hernandez AE, Goncalves J, Freitas FF, Morais AP and Pasechnik R. Collider signatures of vector-like fermions from a flavor symmetric 2HDM. 2021. URL
  • D. Quelhas, J. Carneiro, M. Lopes-Marques, J. Jaeken, E. Martins, J.F. Rocha, S.S. Teixeira Carla, C.R. Ferreira, S.F. Sousa, L. Azevedo, Assessing the effects of PMM2 variants on protein stability, Molecular Genetics and Metabolism, Volume 134, Issue 4, 2021, Pages 344-352, ISSN 1096-7192, https://doi.org/10.1016/j.ymgme.2021.11.002
  • Serrano, C., Teixeira, C.S.S., Cooper, D.N. et al. Compensatory epistasis explored by molecular dynamics simulations. Hum Genet 140, 1329–1342 (2021). https://doi.org/10.1007/s00439-021-02307-x
  • Vieira, T.F.; Martins, F.G.; Moreira, J.P.; Barbosa, T.; Sousa, S.F. In Silico Identification of Possible Inhibitors for Protein Kinase B (PknB) of Mycobacterium tuberculosis. Molecules 2021, 26, 6162. https://doi.org/10.3390/molecules26206162
  • Cátia Santos-Pereira, Juliana F. Rocha, Henrique S. Fernandes, Lígia R. Rodrigues, Manuela Côrte-Real, Sérgio F. Sousa, The milk-derived lactoferrin inhibits V-ATPase activity by targeting its V1 domain, International Journal of Biological Macromolecules, Volume 186, 2021, Pages 54-70, ISSN 0141-8130, https://doi.org/10.1016/j.ijbiomac.2021.06.200
  • Martins, F.G.; Melo, A.; Sousa, S.F. Identification of New Potential Inhibitors of Quorum Sensing through a Specialized Multi-Level Computational Approach. Molecules 2021, 26, 2600. https://doi.org/10.3390/molecules26092600
  • Teixeira MAL, Nygren A, Ravara A, Vieira PE, Hernández JC, Costa FO (2021) The small polychaete Platynereis dumerilii revealed as a large species complex with fourteen MOTUs in European marine habitats. ARPHA Conference Abstracts 4: e64937. https://doi.org/10.3897/aca.4.e64937 (Projeto: CPCA_A1_7359_2020)
  • J. O. Parracho, L. A. Thomaz, L. M. N. Távora, P. A. A. Assunção and S. M. M. Faria, “Cross-modality Lossless Compression of PET-CT Images,” 2021 Telecoms Conference (ConfTELE), 2021, pp. 1-6, doi: 10.1109/ConfTELE50222.2021.9435467 (Projeto: CPCA_A2_6986_2020)

2020

Publicações cujos resultados foram obtidos com recursos MACC

  • Pedro J., Ramôa B., Nóbrega J. M., and Fernandes C., Verification and validation of openinjmoldsim, an open-source solver to model the filling stage of thermoplastic injection molding, Fluids, vol. 5, iss. 2, p. 84. 2020. https://doi.org/10.3390/fluids5020084
In Pedro J. et al, 2020. DOI

Última atualização em Out-22