Scientific articles


The following scientific articles were developed with HPC infrastructure support SeARCH-ON2.
A. Gil, M. Melle-Franco, V. Branchadell, M.J. Calhorda, “How the Intercalation of Phenanthroline Affects the Structure, Energetics and Bond Properties of DNA Base Pairs. Theoretical Study Applied to Adenine-Thymine and Guanine-Cytosine Tetramers”, Journal of Chemical Theory and Computation, 11, nº 6 (2015), 2714-2728
A. Moura, A. Esteves, “Parallelization of Kinetic Monte Carlo Algorithm to Simulate Al3Sc Precipitation”, XVII Conference of Sociedade Portuguesa dos Materiais, (2015), Porto, Portugal
A. Pereira, A. Onofre, A. Proenca, “HEP-Frame: A Software Engineered Framework to Aid the Development and Efficient Multicore Execution of Scientific Code”,  Universidade do Minho, (2015)
A.B. Marco, D. Cortizo, C. Gozalvez, M. Olano, A. Atxabal, X. Sun, M. Melle-Franco, L. Hueso, A. Mateo-Alonso, “An electron-conducting pyrene-fused phenazinothiadiazole”, Chemical Communications, 51 (2015), 10754 – 10757
A.M. Afonso,L.L. Ferrás,J.M. Nóbrega,M.A. Alves,F.T. Pinho, “Pressure-driven electrokinetic slip flows of viscoelastic fluids in hydrophobic microchannels”, Microfluidics and Nanofluidics, 16 (2014), 1131-1142
A.Y. Matveeva,S.V. Pyrlin,M.M.D. Ramos,H.J. Böhm, F.W.J. Van Hattum, “Influence of waviness and curliness of fibres on mechanical properties of composites”, Computational Materials Science, 87 (2014), 1-11.
C. Fernandes, A.J. Pontes, J.C. Viana, J.M. Nóbrega, A. Gaspar-Cunha, “Modeling of Plasticating Injection Molding – Experimental Assessment”, International Polymer Processing, 29, nº5 (2014), 558–569
D. Cortizo-Lacalle, A. Pertegás, L. Martínez-Sarti, M. Melle-Franco, H. J. Bolink, A. Mateo-Alonso, “Twisted hexaazatrianthrylene: synthesis, optoelectronic properties and near-infrared electroluminescent heterojunctions thereof”, Journal of Materials Chemistry C, 3, nº 35 (2015), 9170-9174
D. Kozawa, R. Kumar, A. Carvalho, A.K. Kumar, W. Zhao, S. Wang, M. Toh, R.M. Ribeiro, A.H.C. Neto, K. Matsuda, G. Eda, “Photocarrier relaxation pathway in two-dimensional semiconducting transition metal dichalcogenides”, Nature Communications, 5 (2014), 4543
E. Cunha, M.F. Proença, F. Costa, A.J. Fernandes, M.A.C. Ferro, P.E. Lopes, M. González-Debs, M. Melle-Franco, F. L. Deepak, M. Paiva, “Self‐Assembled Functionalized Graphene Nanoribbons from Carbon Nanotubes”, ChemistryOpen, 4, nº 2 (2015), 115-119
J. Ferreira, A. Quintas, J.A. Oliveira, G. A.B. Pereira, L. Dias, “Solving the team orienteering problem: Developing a solution tool using a genetic algorithm approach”. In Soft Computing in Industrial Applications: Advances in Intelligent Systems and Computing, 223 (2014), 365-375
J. Garrido, F. Cagide, M. Melle-Franco, F. Borges, E.M. Garrido, “Microencapsulation of herbicide MCPA with native β-cyclodextrin and its methyl and hydroxypropyl derivatives: an experimental and theoretical investigation”, Journal of Molecular Structure, 1061 (2014), 76-81
J.A. Ferreira, M. Costa, A. Tereso, J.A. Oliveira, “Multi-Criteria Decision Support System for a Routing Problem in Waste Collection”, 8th International Conference on Evolutionary Multi-Criterion Optimization, (2015), Guimarães, Portugal
J.A. Oliveira, J. Ferreira, G. A.B. Pereira, L.S. Dias, “An improved Evolutionary Algorithm to sequence operations on an ASRS warehouse”, In Soft Computing in Industrial Applications: Advances in Intelligent Systems and Computing, 223 (2014), 95-104
J.A. Oliveira, J. Ferreira, L. Dias, M.C. Figueiredo, G.A.B. Pereira, “Non Emergency Patients Transport – A Mixed Integer Linear Programming”, 4th International Conference on Operations Research and Enterprise Systems, (2015), Lisboa, Portugal
J.A. Oliveira, J. Ferreira, M. Figueiredo, L. Dias, G. Pereira, “Sistema de Apoio à Decisão para o Transporte Não Urgente de Doentes em Veículo Partilhado”, Iberian Journal of Information Systems and Technologies, 13 (2014), 17-33.
J.A. Oliveira, J. Ferreira, M. Figueiredo, L. Dias, G.A.B. Pereira, “Genetic Algorithms for the Non Emergency Patients Transport Service”, The 18th Online World Conference on Soft Computing in Industrial Applications, WSC18-SS3.1, (2014)
K. Strutynski, J.A.N.F. Gomes, M. Melle-Franco, “Accuracy of Dispersion Interactions in Semiempirical and Molecular Mechanics Models: The Benzene Dimer Case”, The Journal of Physical Chemistry A, 118, nº40 (2014), 9561-9567
L. Meira-Machado, M. Sestelo, A. Gonçalves, “Nonparametric estimation of thesurvival function for ordered multivariate failure time data: a comparative study”, the 30th International Workshop on Statistical Modelling IWSM’30, (2015), Linz, Austria
L. Unzueta, W. Pimenta, J. Goenetxea, L.P. Santos, F. Dornaika, “Efficient generic face model fitting to images and videos, in Image and Vision Computing”, 32, nº 5 (2014), 321-334
L.L. Ferrás, A.M. Afonso, M.A. Alves, J.M. Nóbrega, F.T. Pinho, “Analytical and numerical study of the electro-osmotic annular flow of viscoelastic fluids”, Journal of Colloid and Interface Science, 420 (2014), 152-157
L.L. Ferrás, A.M. Afonso, M.A. Alves, J.M. Nóbrega, F.T. Pinho, “Annular flow of viscoelastic fluids: Analytical and numerical solutions”, Journal of Non-Newtonian Fluid Mechanics, 212 (2014), 89-91
L.L. Ferrás, A.M. Afonso, M.A. Alves, J.M. Nóbrega, O.S. Carneiro, F.T. Pinho, “Slip Flows of Newtonian and viscoelastic Fluids in a 4:1 contraction”, Journal of Non-Newtonian Fluid Mechanics, 214 (2014), 28-37
M. Dallavalle, M. Calvaresi, A. Bottoni, M. Melle-Franco, F. Zerbetto, “Graphene can wreak havoc with cell membranes”, ACS applied materials & interfaces, 7,nº 7 (2015), 4406-4414
M. Melle-Franco, “Uthrene, a radically new molecule?”, Chemical Communications, 51, nº 25 (2015), 5387-5390
M.C. Paiva, E.P.F. Cunha, H. Rocha, M. Proença, N.M.A. Alves, J.F. Mano, M. Melle-Franco, F.L. Deepak, M. González-Debs, P. Lopes, “Graphene nanoribbons and nanoflakes from functionalized carbon precursors”, The world conference on Carbon, (2014), Jeju, Coreia do Sul
M.C. Paiva, R.F. Araújo, E.P.F. Cunha, J. Gonçalves, M. Melle-Franco, M. Pereira, M. Proença, “Simple strategies for stable aqueous suspensions of carbon nanotubes”, COMPO-2014 Nanocomposites & Biocomposites, 28 (2014), Rehovot, Israel
M.F. Tomé, A. Castelo, J.M. Nóbrega,O.S. Carneiro,G. Sanchez,F.T. Pereira, “Numerical and experimental investigations of three-dimensional container filling with Newtonian viscous fluids”, Computers and Fluids, 90 (2014),172-185
N.D. Gonçalves, P. Teixeira, L.L. Ferrás, A.M. Afonso, J.M. Nóbrega, O.S. Carneiro, “Design and optimization of an extrusion die for the production of wood-plastic composite profiles”, Polymer Engineering and Science, 55, 8 (2015), 1849-1855
N.D. Gonçalves, S.P. Pereira, L.L. Ferrás,  J.M. Nóbrega, O.S. Carneiro, “Using the GPU to Design Complex Profile Extrusion Dies”, International Polymer Processing, 30, nº 4 (2015), 442-450
Q. Baudouin, R. Pierrat, A. Eloy, E.J. Nunes-Pereira, P.A. Cuniasse, N. Mercadier, R. Kaiser, “Signatures of Lévy flights with annealed disorder”, Physical Review, 90 (2014), 52114
R. García, M. Melle-Franco, A. Mateo-Alonso, “A short pyrene-fused pyrazaacene with red to near-infrared photoluminescence”, Chemical Communications, 51, nº 38 (2015), 8037-8040
R. García, S. More, M. Melle-Franco, A. Mateo-Alonso, “11, 11, 12, 12-Tetracyano-4, 5-pyrenoquinodimethanes: Air-Stable Push–Pull o-Quinodimethanes with S2 Fluorescence”, Organic letters, 16, nº 23 (2014), 6096-6099
R. Gonçalves, D. Batory, J.L. Sobral, “ReFlO: an interactive tool for pipe-and-filter domain specification and program generation”, Software & Systems Modeling, (2014)
R. Gusmão, M. Melle-Franco, D. Geraldo, F. Bento, M.C. Paiva, F. Proença, “Probing the surface of oxidized carbon nanotubes by selective interaction with target molecules”, Electrochemistry Communications, 57 (2015), 22-26
R.M.S. Pereira, J. Borges, F.C.R. Peres, P.A.S. Pereira, G.V. Smirnov, F. Vaz, A. Cavaleiro, M.I. Vasilevskiy, “Effect of clustering on the surface plasmon band in thin films of metallic nanoparticles”, Journal of Nanophotonics, 9, nº 1 (2015), 093796
R.M.S. Pereira, J. Borges, P.A.S. Pereira, G.V. Smirnov, F. Vaz, A. Cavaleiro, M.I. Vasilevskiy, “Optical response of fractal aggregates of polarizable particles”, Proceedings of SPIE – The International Society for Optical Engineering , 9286 (2014), 92865M
S. Almeida, V. Oliveira, A. Pina, M. Melle-Franco, “Two High-Performance Alternatives to ZLIB Scientific-Data Compression”, Computational Science and Its Applications–ICCSA, IV, nº 8582 (2014), 623-638
S. Choudhary, C. Gozalvez, A. Higelin, I. Krossing, M. Melle‐Franco, A. Mateo-Alonso, “Hexaazatrinaphthylenes with Different Twists”, Chemistry-A European Journal, 20, nº 6 (2014), 1525-1528
S. More, S. Choudhary, A. Higelin, I. Krossing, M. Melle-Franco, A. Mateo-Alonso, “Twisted pyrene-fused azaacenes”, Chemical Communications, 50, nº 16 (2014), 1976-1979
S.M.M. Sabet, J. Clark, J.M. Nóbrega, “A cost study of common surface finish systems for steel structures”, Surface Coatings International, 98, 2 (2015), 90-95
S.M.M. Sabet, J. Marques,M. Nova,R. Torres,F.W.J. van Hattum,J.M. Nóbrega, “Numerical modelling of a rollover carwash machine structure”, International Journal of Modelling and Simulation”, 34 (2014)
T.G. Castro, N.M. Micaelô, “Modeling of Peptaibol Analogues Incorporating Nonpolar α,α-Dialkyl Glycines Shows Improved α‑Helical Preorganization and Spontaneous Membrane Permeation”, The journal of physical chemistry B, 118 (2014), 9861-70
V. Ferreira, L.P. Santos, M. Franzen, O.O. Ghouati, R. Simoes, “Improving FEM crash simulation accuracy through local thickness estimation based on CAD data”, in Advances in Engineering Software, 71 (2014), 52-62
W. Zhao, R. M. Ribeiro, G. Eda, “Electronic Structure and Optical Signatures of Semiconducting Transition Metal Dichalcogenide Nanosheets”, Acc. Chem. Res., 48 (2015), 91
Z. Rashidian,Y. Bludov, R.M. Ribeiro, N. Peres, M. Vasilevskiy, “Optical conductivity of ABA stacked graphene trilayer: mid-IR resonance due to band nesting”, Journal of Physics: Condensed Matter, 26 (2014), 395301