Publicações associadas a Projetos de Computação Avançada

Como referenciar a RNCA em artigos científicos ou conferências?

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>”

Caso as suas publicações, decorrentes de um projeto de computação avançada da RNCA, não se encontrem listadas nesta página, envie os detalhes para rnca(at)


  • Bruno Nevado, Guy W. Atchison, Edwin L. Bridges, Steve Orzell, Dmitry Filatov, Colin E. Hughes. Pleistocene diversification of unifoliolate-leaved Lupinus (Leguminosae: Papilionoideae) in Florida. 2024. Molecular Ecology, Volume 33, Issue 3. (Projeto: 2022.15825.CPCA.A2@INCD)
  • Rui M.P. Pereira, Marian C. Istrate, Fábio G. Figueiras, Veniero Lenzi, Bruna M. Silva, Majdi Benamara, Konstantin N. Romanyuk, Corneliu Ghica, Bernardo G. Almeida, Luís Marques, Mario Pereira, José P.B. Silva. Phase transitions in ferroelectric ZrO2 thin films. 2024. Materials Science in Semiconductor Processing. Volume 172. 108102. (Projeto: CPCA/A1/415075/2022@HPC-UE)


  • Igor A. Rodrigues Lopes, Miguel Vieira de Carvalho, João A. Marques da Silva, Rui P. Cardoso Coelho, Francisco M. Andrade Pires. Second-order homogenisation of crystal plasticity and martensitic transformation. 2023. European Journal of Mechanics – A/Solids. Volume 102. 105104. (Projeto: CPCA/A1/420917/2021@INCD)
  • Ana Martins, M. G. Scotto, C. H. Weiss, Sónia Gouveia. Space-time integer-valued ARMA modelling for time series of counts. Electronic Journal of Statistics. 2023. 17(2):3472-3511. DOI:10.1214/23-EJS2183 (Projeto: CPCA/A1/449427/2021@HPC-UE)
  • Marco Zecchetto, Tomoaki Watanabe, Koji Nagata, Carlos B. da Silva. Turbulent/non-turbulent interfaces in equilibrium and non-equilibrium regions in the absence of mean shear. International Journal of Heat and Fluid Flow. 2023. Volume 103, 109198. (Projeto: CPCA/A1/455167/2021@MACC)
  • G. F. Martins, C. Nascimento, and N. Galamba. Mechanistic Insights into Polyphenols’ Aggregation Inhibition of α-Synuclein and Related Peptides. ACS Chem. Neurosci. 2023, 14, 10, 1905–1920. (Projeto: CPCA/A1/470255/2021@MACC)
  • Pedro R. Figueiredo ,  Ricardo D. González , and  Alexandra T. P. Carvalho. Insights into the Degradation of Polymer–Drug Conjugates by an Overexpressed Enzyme in Cancer Cells. Med. Chem. 2023, 66, 4, 2761–2772 (Projeto: CPCA/A2/4568/2020@INCD)
  • Bendall, E. E., Bagley, R. K., Sousa, V. C., & Linnen, C. R. (2022). Faster-haplodiploid evolution under divergence-with-gene-flow: Simulations and empirical data from pine-feeding hymenopterans. Molecular Ecology, 31, 2348- 2366. (Projeto: 2021.09795.CPCA.A2@INCD)
  • Carvalho, J., Morales, H. E., Faria, R., Butlin, R. K., & Sousa, V. C. (2023). Integrating Pool-seq uncertainties into demographic inference. Molecular Ecology Resources, 00, 1-19. (Projeto: 2021.09795.CPCA.A2@INCD)
  • Carvalho, J., Faria, R., Butlin, R. K., & Sousa, V. C. (2023). poolHelper: An R package to help in designing Pool-Seq studies. Methods in Ecology and Evolution, 00, 1- 8. (Projeto: 2021.09795.CPCA.A2@INCD)
  • Carneiro J, Pascoal F, Semedo M, Pratas D, Tomasino MP, Rego A, Carvalho MF, Mucha AP, Magalhães C. Mapping human pathogens in wastewater using a metatranscriptomic approach. Environ Res. 2023 Aug 15;231(Pt 1):116040. doi: 10.1016/j.envres.2023.116040 (Projeto: 2021.09782.CPCA.A2@INCD)
  • D. Gomes, V. P. Markevich, A. R. Peaker, J. Coutinho, “Dynamics of Hydrogen in Silicon at Finite Temperatures from First Principles”, invited paper for the occasion of the 60th anniversary of Physica Status Solidi, Physica Status Solidi B 259, 2100670 (2022); doi:10.1002/pssb.202100670 (Projeto: 2021.09643.CPCA.A2@HPC-UE)
  • T. O. Abdul Fattah, V. P. Markevich, J. A. De Guzman, J. Coutinho, N. V. Abrosimov, J. Binns, I. Crowe, M. P. Halsall, A. R. Peaker, “Deep-level defects in Ga-doped silicon crystals”, AIP Conference Proceedings 2826, 110001 (2023), SiliconPV-2022 conference, (March, Konstanz, Germany, 2022); doi:10.1063/5.0140826 (Projeto: 2021.09643.CPCA.A2@HPC-UE)
  • T. O. Abdul Fattah, V. P. Markevich, J. A. T. De Guzman, J. Coutinho, S. B. Lastovskii, I. D. Hawkins, I. F. Crowe, M. P. Halsall, A. R. Peaker, “Interactions of Hydrogen Atoms with Acceptor-Dioxygen Complexes in Czochralski-Grown Silicon”, Physica Status Solidi A 219, 2200176 (2022); doi:10.1002/pssa.202200176 (Projeto: 2021.09643.CPCA.A2@HPC-UE)
  • J. Coutinho, D. Gomes, V. J. B. Torres, T. O. Abdul Fattah, V. P. Markevich, and A. R. Peaker, “Theory of reactions between hydrogen and group-III acceptors in silicon”, Physical Review B 108, 014111 (2023); doi:10.1103/PhysRevB.108.014111 (Projeto: 2021.09643.CPCA.A2@HPC-UE)
  • Jeyabalan S.R. et al “Nonlinear large-scale perturbations of a steady thermal convective dynamo regimes in a plane layer of electrically conducting fluid rotating about the vertical axis”. Mathematics, Vol. 10, Iss. 16, 2957, 2022. Special issue “Numerical Analysis and Scientific Computing II”, section “Computational and Applied Mathematics”. DOI:10.3390/math10162957 (Projeto: 2021.09815.CPCA.A2@HPC-UE)
  • R. Chertovskih et al. “”Optimal control of nonlocal continuity equations: numerical solution”. Applied Mathematics & Optimization, Vol. 88, article no. 86, 2023. DOI:10.1007/s00245-023-10062-w (Projeto: 2021.09815.CPCA.A2@HPC-UE)
  • R. Chertovskih et al. “Optimal control of distributed ensembles with application to Bloch equations”. IEEE Control Systems Letters, Vol. 7, pp. 2059-2064, 2023. DOI:10.1109/LCSYS.2023.3284205 (Projeto: 2021.09815.CPCA.A2@HPC-UE)
  • Moreno, M. J.; Filipe, H. A. L.; Cunha, S. V. P.; Ramos, C. V.; Martins, P. A. T.; Abel, B.; Loura, L. M. S.; Ambudkar, S. V., Interaction of a Homologous Series of Amphiphiles with P-glycoprotein in a Membrane Environment – Contributions of Polar and Non-Polar Interactions. Pharmaceutics 2023, 15 (1), 174. (Projeto: 2021.09741.CPCA.A2@LCA-UC)
  • Oliveira, A. C.; Filipe, H. A. L.; Loura, L. M. S., Fluorescent Probes cis- and trans-Parinaric Acids in Fluid and Gel Lipid Bilayers: A Molecular Dynamics Study. Molecules 2023, 28 (5), 2241. (Projeto: 2021.09741.CPCA.A2@LCA-UC)
  • Filipe, H. A. L.; Loura, L. M. S.; Moreno, M. J., Permeation of a Homologous Series of NBD-Labeled Fatty Amines through Lipid Bilayers: A Molecular Dynamics Study. Membranes 2023, 13 (6), 551. (Projeto: 2021.09741.CPCA.A2@LCA-UC)
  • Filipe, H. A. L.; Moreira, A. F.; Miguel, S. P.; Ribeiro, M. P.; Coutinho, P., Interaction of Near-Infrared (NIR)-Light Responsive Probes with Lipid Membranes: A Combined Simulation and Experimental Study. Pharmaceutics 2023, 15 (7), 1853. (Projeto: 2021.09741.CPCA.A2@LCA-UC)
  • Cordeiro, M. M.; Filipe, H. A. L.; Santos, P. d.; Samelo, J.; Ramalho, J. P. P.; Loura, L. M. S.; Moreno, M. J., Interaction of Hoechst 33342 with Lipid Membranes at Different pH Values. In, 2023. (Projeto: 2021.09741.CPCA.A2@LCA-UC)
  • Silva, T. F. D. , Visca, H., Klumpp, C., Andreev, O. A., Reshetnyak, Y. K., Machuqueiro, M. The Role of Arginine Residues in membrane interactions of pHLIP peptides. 2023. J. Chem. Inf. Model., 63, 14, 4433. (Projeto: 2021.09635.CPCA.A2@LCA-UC)
  • M. Graça, D. Marques, S. Santander-Jiménez, L. Sousa and A. Ilic, Interpreting High Order Epistasis Using Sparse Transformers. 2023. IEEE/ACM Conference on Connected Health: Applications, Systems and Engineering Technologies (CHASE), Orlando, FL, USA, 2023, pp. 114-125. (Projeto: CPCA-IAC/AV/478750/2022@GCP)
  • Marques da Silva, J. A., Vieira de Carvalho, M., Cardoso Coelho, R. P., Rodrigues Lopes, I. A., & Andrade Pires, F. M. On the representativeness of polycrystalline models with transformation induced plasticity. Finite Elements in Analysis and Design, 2023. 215, 103875. (Projeto: CPCA/A1/420917/2021@INCD)
  • Silva JPB, Istrate MC, Hellenbrand M, Jan A., Becker MT, Symonowicz J., Figueiras FG, Lenzi V., Hill MO, Ghica C, Romanyuk KN, Gomes MJM, Di Martino G., Marques L., MacManus-Driscoll JL. Ferroelectricity and negative piezoelectric coefficient in orthorhombic phase pure ZrO2 thin films. Applied Materials Today. Volume 30, 101708, 2023. (Projetos: CPCA/A2/5649/2020@HPC-UÉ e CPCA/A2/4628/2020@MACC)
in Silva JPB et al. 2023


  • J.P.B. Silva, K.C. Sekhar, R.F. Negrea, C. Ghica, D. Dastan, M.J.M. Gomes. Ferroelectric properties of ZrO2 films deposited on ITO-coated glass 2022. Ceramics International. Volume 48, Issue 5. (Projeto: CPCA/A2/5649/2020@HPC-UE)
  • Pina AF, Sousa SF, Azevedo L, Carneiro J. Non-B DNA conformations analysis through molecular dynamics simulations. Biochim Biophys Acta Gen Subj. 2022 Dec;1866(12):130252. doi: 10.1016/j.bbagen.2022.130252 (Projeto: 2021.09782.CPCA.A2@INCD)
  • Boudjouan, F.; Zeghbib, W.; Carneiro, J.; Silva, R.; Morais, J.; Vasconcelos, V.; Lopes, G. Comparison Study on Wild and Cultivated Opuntia sp.: Chemical, Taxonomic, and Antioxidant Evaluations. Agriculture 2022, 12, 1755. (Projeto: 2021.09782.CPCA.A2@INCD)
  • Lenzi V., Silva JBP, Šmíd B, Matolín V., Istrate CM, Ghica C, MacManus-Driscoll JL, Marques L. Ferroelectricity induced by oxygen vacancies in rhombohedral ZrO2 thin films. Energy & Environmental Materials. 2022. (Projeto: CPCA/A1/415075/2021@HPCUE)
  • Moreno M, Vilaça R and Ferreira PG. Scalable Transcriptomics Analysis with Dask: Applications in Data Science and Machine Learning. BMC Bioinformatics. 23:514. 2022. (Projeto: CPCA/A2/2640/2020@MACC
  • Santos JM, Thomaz LA, Assuncao PAA, da Silva Cruz JA, Távora LMN, Faria SMM, Hierarchical lossless coding of light fields with improved random access, Signal Processing: Image Communication, Volume 105, 2022, 116687, ISSN 0923-5965, (Projeto: CPCA_A00_6782_2020@MACC)
  • 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. (Projeto: CPCA/A0/7316/2020@MACC)
  • Zhan, G., Cai, ZF., Strutyński, K. et al. Observing polymerization in 2D dynamic covalent polymers. Nature 603835–840 (2022). Projeto CPCA/A2/2524/2020@MACC
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. Projeto CPCA/A2/2568/2020@MACC
  • Rajeev K. Dubey, M. Melle-Franco, and A. 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 Projeto CPCA/A2/2524/2020@MACC
  • 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. Projeto CPCA/A2/6052/2020@MACC
  • 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). (Projeto: CPCA/A2/6052/2020@MACC
  • Pina A. F., Sousa S. F., Cerqueira N. M. F. S. A., ChemBioChem 2022, 23, e202100555. @INCD
  • 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). Projetos CPCA/A00/7140/2020 e CPCA/A00/7145/2020@INCD
  • 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. Projeto CPCA/A00/7395/2020@INCD
  • Gadelho, J., Guedes Soares, C., Barajas, G., & Lara, J. L. CFD analysis of the PTO damping on the performance of an onshore dual chamber OWC. 2022. n C. Guedes Soares & T. A. Santos, Trends in Maritime Technology and Engineering Volume 2 (1st ed., pp. 381-389). CRC Press. (Projeto: CPCA/A1/407670/2021@INCD)
  • Gadelho, J., & Guedes Soares, C.,. Pneumatic performance improvement of an onshore dual chamber OWC using a CFD model. 2022. In Trends in Renewable Energies Offshore (Guedes Soares C., (Ed.). (Projeto: CPCA/A1/407670/2021@INCD)
  • 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 @INCD
in Rosa et. al 2022
  • Couto C, Tong Q, Gernay T, Predicting the capacity of thin-walled beams at elevated temperature with machine learning, Fire Safety Journal, Volume 130, 2022, 103596, ISSN 0379-7112, (Projeto: CPCA/A1/6717/2020@LCAUC)
  • Couto C, Neural network models for the critical bending moment of uniform and tapered beams,Structures,Volume 41,2022,Pages 1746-1762,ISSN 2352-0124, (Projeto: CPCA/A1/6717/2020@LCAUC)
  • Riaño A., 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, An Expanded 2D Fused Aromatic Network with 90-Ring Hexagons. 2022. Angew. Chem. Int. Ed.  61, e202113657. (Projeto: CPCA/A2/2524/2020@LCAUC)


  • Pedro R. Figueiredo, Ricardo D. González, Alexandra T.P. Carvalho. Human Carboxylesterase 2 in Cocaine Metabolism. Molecular Catalysis. 2021. Volume 515, 111938. (Projeto: CPCA/A2/4568/2020@MACC)
  • Lenzi V, Cavaleiro A, Fernandes F, Marques L, Diffusion of silver in Titanium Nitride: Insights from density functional theory and molecular dynamics, Applied Surface Science, 556:149738, 2021, (Projeto: CPCA_A2_5649_2020@HPCUE)
  • Coutinho J, Gouveia JD, Makino T, Ohshima T, Pastuović Ž., Bakrač L., Brodar T., and Capan I.. M center in 4H-SiC is a carbon self-interstitia.l. Phys. Rev. B 103, L180102. 2021. 021.149738 (Projeto: CPCA_A0_7277_2020@HPCUE)
in J. Coutinho et. al, 2021
  • Apolinário, L., Castro, N.F., Romão, M.C. et al. Deep Learning for the classification of quenched jets. J. High Energ. Phys. 2021219 (2021). @HPCUE
  • Crispim Romão, M., Castro, N.F. & Pedro, R. Finding new physics without learning about it: anomaly detection as a tool for searches at colliders. Eur. Phys. J. C 8127 (2021). @HPCUE
  • Almeida B.C.,Kaczmarek J.A, Figueiredo P.R., Prather KLJ and Carvalho ATP. Transcription factor allosteric regulation through substrate coordination to zinc, NAR Genomics and Bioinformatics 2021, 3 (2), (Projeto: CPCA_A2_4568_2020@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. (Projeto: CPCA_A00_6057_2020 @MACC)
  • 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. (Projeto: CPCA_A2_2613_2020@MACC)
  • Fernandes C., Faroughi S. A., Ribeiro R., Isabel A., Mckinley G., (2021). Finite Volume Simulations of Particle-laden Viscoelastic Fluid Flows: Application To Hydraulic Fracture Processes. 10.21203/ (Projeto: CPCA_A2_6052_2020@MACC)
  • Gernot Eichmann, J. M. Pawlowski, and J. M. Silva. Mass generation in Landau-gauge Yang-Mills theory. 2021. Phys. Rev. D 104, 114016. (Projeto: CPCA_A0_7291_2020@MACC)
  • 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. (Projeto: CPCA_A0_7324_2020@MACC)
  • 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@MACC)
  • Castellanos P., Brito A. C., Chainho P., Quintella B.R., da Costa L., França S., Cabral H., Costa J. L., CoastNet Dataset From Mondego, Tejo and Mira Estuaries: Multiparametric Measurements During 2020. 2021. Frontiers in Marine Science. Volume 8. DOI=10.3389/fmars.2021.707089 (Projeto: CPCA_A2_7255_2020@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. (Projeto: CPCA_A2_7255_2020@INCD)
  • 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. (Projeto: CPCA_A2_7255_2020@INCD)
  • 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 @INCD
  • 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, @INCD
  • Serrano, C., Teixeira, C.S.S., Cooper, D.N. et al. Compensatory epistasis explored by molecular dynamics simulations. Hum Genet 140, 1329–1342 (2021). Projetos CPCA/A00/7140/2020 e CPCA/A00/7145/2020@INCD
  • 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. Projetos CPCA/A00/7140/2020 e CPCA/A00/7145/2020@INCD
  • Santos-Pereira C,Rocha J. F., Fernandes H. S., Rodrigues L. R., Côrte-Real M., Sousa S. F., 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, @INCD
  • 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. Projetos CPCA/A00/7140/2020 e CPCA/A00/7145/2020@INCD
  • 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. (Projeto: CPCA_A1_7359_2020@INCD)
  • Parracho J. O., Thomaz L. A., Távora L. M. N., . Assunção P. A. A and S Faria . M. M., “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@INCD)

Outras publicações


  • 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. Projeto@MACC
In Pedro J. et al, 2020

Última atualização em Jan-24