Publications and Scientific Papers

Maria João Moreno, Hugo A. L. Filipe, Susana V. P. Cunha, Cristiana V. Ramos, Patrícia A. T. Martins, Biebele Abel, Luís M. S. Loura and Suresh V. Ambudkar, "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

Dario Abbondanza, Mirko Gallo & Carlo Massimo Casciola. "Cavitation over solid surfaces: microbubble collapse, shock waves, and elastic response", Meccanica volume 58, 1109–1119 (2023).

Alexandre C. Oliveira, Hugo A. L. Filipe, Luís M. S. Loura, "Fluorescent Probes cis- and trans-Parinaric Acids in Fluid and Gel Lipid Bilayers: A Molecular Dynamics Study", Molecules 2023, 28 (5), 2241.

Licínia L. G. Justino, Sofia Braz and M. Luísa Ramos, "Spectroscopic and DFT Study of Alizarin Red S Complexes of Ga(III) in Semi-Aqueous Solution", Photochem, 2023, 3, 61-81.

Anna Luiza B. Brito, Susy Lopes, Gulce Ogruc Ildiz, Rui Fausto, "Structure, Vibrational Spectra, and Cryogenic Matrix Photochemistry of 6-Bromopyridine-2-carbaldehyde: From the Single Molecule of the Compound to the Neat Crystalline Material", Molecules 2023, 28(4), 1673.

Beatriz Bueschbell, Pedro R. Magalhães, Carlos A.V. Barreto, Rita Melo, Anke C. Schiedel, Miguel Machuqueiro, Irina S. Moreira,"The World of GPCR dimers – Mapping dopamine receptor D2 homodimers in different activation states and configuration arrangements", Computational and Structural Biotechnology Journal,Volume 21, 2023, 4336-4353

Anna Luiza B. Brito, Licínia L.G. Justino, Berna Çatıkkas, Susy Lopes, Gulce O. Ildiz, Rui Fausto, "Structure, conformational landscape and UV-induced selective rotamerization of 2-aminoacetanilide", J. Photochem. & Photobiol., A: Chem., 2023, 435, 114302.

Tuhin Malik, Márcio Ferreira, Milena Bastos Albino, and Constança Providência, "Spanning the full range of neutron star properties within a microscopic description", Phys. Rev. D 107, 103018.

Hugo A. L. Filipe, Luís M. S. Loura, Maria João Moreno, "Permeation of a Homologous Series of NBD-Labeled Fatty Amines through Lipid Bilayers: A Molecular Dynamics Study", Membranes 2023, 13 (6), 551.

Hugo A. L. Filipe, André F. Moreira, Sónia P. Miguel, Maximiano P. Ribeiro, Paula Coutinho, "Interaction of Near-Infrared (NIR)-Light Responsive Probes with Lipid Membranes: A Combined Simulation and Experimental Study", Pharmaceutics 2023, 15 (7), 1853.

Margarida M. Cordeiro, Hugo A. L. Filipe, Patrícia dos Santos, Jaime Samelo, João P. Prates Ramalho, Luís M. S. Loura, Maria J. Moreno, "Interaction of Hoechst 33342 with POPC Membranes at Different pH Values", Molecules 2023, 28 (15), 5640.

Schmidt, Jonathan, Noah Hoffmann, Hai-Chen Wang, Pedro Borlido, Pedro JMA Carriço, Tiago FT Cerqueira, Silvana Botti, and Miguel AL Marques. "Machine-learning-assisted determination of the global zero-temperature phase diagram of materials", Advanced Materials (2023): 2210788.

Pedro G. Vaz, Luisa Sanchez Brea, Vania Bastos Silva, Jan van Eijgen, Ingeborg Stalmans, João Cardoso, Theo van Walsum, Stefan Klein, João Barbosa Breda, Danilo Andrade De Jesus, "Retinal OCT speckle as a biomarker for glaucoma diagnosis and staging", Computerized Medical Imaging and Graphics, 2023,102256, ISSN 0895-6111.

Abbondanza, Dario, Mirko Gallo, and Carlo Massimo Casciola. "Diffuse interface modeling of laser-induced nano-/micro-cavitation bubbles", Physics of Fluids 35, 022113 (2023).

Tjarda C N Boekholt, Alexandre C M Correia, "A direct N-body integrator for modelling the chaotic, tidal dynamics of multibody extrasolar systems: TIDYMESS",
Monthly Notices of the Royal Astronomical Society, Volume 522, Issue 2, June 2023, Pages 2885–2900.

Vaz, D. A., Silvestro, S., Chojnacki, M., Silva. D. C. A. "Constraining the mechanisms of aeolian bedform formation on Mars through a global morphometric survey", Earth and Planetary Science Letters 614, 118196 (2023).

Cesare Fiorini , Hélder D. Craveiro, Aldina Santiago, Luís Laím, Luís Simões da Silva, "Parametric evaluation of heat transfer mechanisms in a WUI fire scenario", International Journal of Wildland Fire (2023)

Hoffmann, Noah, Cerqueira, Tiago F. T., Borlido, Pedro, Sanna, Antonio, Schmidt, Jonathan, Marques, Miguel A. L., "Searching for ductile superconducting Heusler X2YZ compounds", npj Comput Mater 9, 138 (2023).

Pedro G. Vaz, Luisa Sanchez Brea, Vania Bastos Silva, Jan van Eijgen, Ingeborg Stalmans, João Cardoso, Theo van Walsum, Stefan Klein, João Barbosa Breda, Danilo Andrade De Jesus, "Retinal OCT speckle as a biomarker for glaucoma diagnosis and staging", Computerized Medical Imaging and Graphics, Volume 108 (2023)10225.

Ameya Thete, Kinjal Banerjee, and Tuhin Malik, "Realizing the potential of deep neural network for analyzing neutron star observables and dense matter equation of state", Phys. Rev. D 108, 063028.

Deepak Kumar, Tuhin Malik, Hiranmaya Mishra, and Constança Providência, "Robust universal relations in neutron star asteroseismology", Phys. Rev. D 108, 083008.

Tuhin Malik, Márcio Ferreira, B. K. Agrawal, and Constança Providência, "Relativistic Description of Dense Matter Equation of State and Compatibility with Neutron Star Observables: A Bayesian Approach", The Astrophysical Journal 930, 17 (2022).

A. Abouali, D.X. Viegas, J.R. Raposo, “Analysis of the wind flow and fire spread dynamics over a sloped-ridgeline hill”, Combustion and Flame (In-Press)

C. F. O. Correia, J. M. C. Marques, M. Bartolomei, F. Pirani, E. Maço and J. M. G. Martinho, “Aggregation of coronene: the effect of carboxyl and amine functional groups”, Phys. Chem. Chem. Phys., 2021, 23, 1500 ; 10.1039/d0cp05447j

W. S. Jesus, F. V. Prudente, J. M. C. Marques and F. B. Pereira, “Modeling microsolvation clusters with electronic-structure calculations guided by analytical potentials and predictive machine learning techniques”, Phys. Chem. Chem. Phys., 2021, 23, 1738

M. D. de Andrade, W. S. Jesus, F. V. Prudente, J. M. C. Marques, “On the stabilization of the Li+‑Li+ interaction by microsolvation with rare‑gas atoms”, Theoretical Chemistry Accounts (2021) 140:65

J.R.C. Santos, P.E. Abreu, J.M.C. Marques, “Calculation of diffusion coefficients of pesticides by employing molecular dynamics simulations”, Journal of Molecular Liquids 340 (2021) 117106 ; DOI 10.1016/j.molliq.2021.117106

Filipe, H. A. L.; Almeida, M. C. F.; Teixeira, R. R.; Esteves, M. I. M.; Henriques, C. A.; Antunes, F. E., “Dancing with oils – the interaction of lipases with different oil/water interfaces”. Soft Matter 2021, 17 (30), 7086-7098.

Marco Zecchetto and Carlos B. da Silva, “Universality of small-scale motions within the turbulent/non-turbulent interface layer”, J. Fluid Mech. (2021), vol. 916, A9 ; doi: 10.1017/jfm.2021.168

Ricardo P. Xavier, Miguel A. C. Teixeira and Carlos B. da Silva, “Asymptotic scaling laws for the irrotational motions bordering a turbulent region”, J. Fluid Mech. (2021), vol. 918, A3 ; doi: 10.1017/jfm.2021.296

G. T. R. Catumba, O. Oliveira, P. J. Silva , “$H(4)$ tensor representations for the lattice Landau gauge gluon propagator and the estimation of lattice artefacts”, Phys. Rev. D 103, 074501 (2021)

Lee C. Loveridge, Orlando Oliveira, Paulo J. Silva, “The lattice Landau gauge photon propagator for 4D compact QED”, Phys. Rev. D 103, 094519 (2021)

Alina Secrieru, Susy Lopes, Maria L. S. Cristiano and Rui Fausto, “Structure and IR Spectra of 3(5)-Aminopyrazoles and UV-Induced Tautomerization in Argon Matrix”, Molecules, 2021, 26(14), 4299 ; DOI: 10.3390/molecules26144299

M. Luísa Ramos, Licínia L. G. Justino, Rui Barata, Telma Costa, Hugh D. Burrows, "Complexes of In(III) with 8-hydroxyquinoline-5-sulfonate in solution: Structural studies and the effect of cationic surfactants on the photophysical behaviour", Dalton Trans., 2021,50, 16970-16983.

Reza Golbedaghi, Licinia L.G. Justino, Rui Fausto, Farkhondeh Oshal, Saeeid Jamehbozorgi, Mehdi Abdolmaleki, "A New Schiff Base Ligand as a Fluorescence Probe for Cu(II) Detection in Semi-Aqueous Solution: Synthesis, Characterization, Fluorescence and Mechanistic Insight", Inorganica Chimica Acta, Volume 528, 2021, 120623.

Chojnacki, M., Vaz, D. A., Silvestro, S., Silva. D. C. A. "Widespread megaripple activity across the north polar ergs of Mars", Journal of Geophysical Research: Planets 126 (12), e2021JE006970 (2021).

M. N. Guimarães, M. M. de Almeida, J. M. C. Marques and F. V. Prudente, “A thermodynamic view on the microsolvation of ions by rare gas: application to Li+ with argon”, Phys. Chem. Chem. Phys., 2020, 22, 10882 ; DOI 10.1039/d0cp01283a

M. Melia Rodrigo, Ana C.F. Ribeiro, Gabriela Moço, Ana M.T.D.P.V. Cabral, Artur J.M. Valente, Miguel A. Esteso, Paulo E. Abreu, Joana R.C. Santos, Jorge M.C. Marques, “Effect of sodium chloride on the behaviour of the lactose in aqueous solution studied from diffusion experiments and molecular dynamics simulations”, J. Chem. Thermodynamics 155 (2021) 106370; DOI 10.1016/j.jct.2020.106370

Md Nazmul Azim Beg, Matteo Rubinato, Rita F. Carvalho and James D. Shucksmith, “CFD Modelling of the Transport of Soluble Pollutants from Sewer Networks to Surface Flows during Urban Flood Events”, Water 2020, 12, 2514; DOI 10.3390/w12092514

Mateus C. Guimarães, Nuno Pimentel, Fernando T. Pinho, and Carlos B. da Silva, “Direct numerical simulations of turbulent viscoelastic jets”, J. Fluid Mech. (2020), vol. 899, A11

D. Dudal, O. Oliveira, M. Roelfs, P. J. Silva, “Spectral representation of lattice gluon and ghost propagators at zero temperature” , Nucl. Phys. B 952, 114912 (2020)

Shirley Weishi Li, Peter Lowdon, Orlando Oliveira, Paulo J. Silva, “The generalised infrared structure of the gluon propagator”, Phys. Lett. B 803, 135329 (2020)

Alexandre F. Falcão, O. Oliveira, Paulo J. Silva, “The analytic structure of the lattice Landau gauge gluon and ghost propagators”, Phys. Rev. D 102, 114518 (2020)

S Silvestro, M Chojnacki, DA Vaz, M Cardinale, H Yizhaq, F Esposito (2020). Megaripple migration on Mars. Journal of Geophysical Research: Planets 125 (8), e2020JE006446. DOI: 10.1029/2020JE006446

M. L. Ramos, D. C. Dias, Licínia L. G. Justino, L. M. P. Verissimo, A. J. M. Valente, M. A. Esteso, A. C. F. Ribeiro, D. G. Leaist, J. Pina, A. M. T. D. P. V. Cabral, M. M. Rodrigo, “Interactions between glycyl-L-phenylalanine and β-cyclodextrin from diffusion, spectroscopic and computational studies”, J. Mol. Liq., 2020, 315, Art. 113704. DOI: 10.1016/j.molliq.2020.113704

Jaime Silva, Bruce F Milne and Fernando Nogueira, “Field-dependent electrical properties of carbon nanotubes from first-principles: negative differential conductance, current oscillations and molecular sensing”, 2020 J. Phys.: Condens. Matter 32 135502 ; DOI 10.1088/1361-648X/ab5f47

L. Cruzeiro, “The VES KM: a pathway for protein folding in vivo”, Pure and Applied Chemistry, 92, (2020) pp. 179-191

Rita Fernandes de Carvalho, Md Nazmul Azim Beg, Pedro Lopes, "Experimental and Numerical Characterisation of a Jet Impingement on a Pool". 38th IAHR World Congress Panama City, Panama, September 2019

Md Nazmul Azim Beg , Rita F. Carvalho, Jorge Leandro, "Effect of manhole molds and inlet alignment on the hydraulics of circular manhole at changing surcharge"Urban Water Journal 16, 33-34, 2019

A.G. Marinopoulos and P.M. Gordo, "Zr vacancies and their complexes with hydrogen in monoclinic zirconia: formation energies and positron lifetimes", Physica Scripta (2019), DOI: 10.1088/1402-4896/ab56cd

A.G. Marinopoulos, "First-principles study of the formation energies and positron lifetimes of vacancies in the Yttrium-Aluminum Garnet", Eur. Physical Journal B 92, 242 (2019)

A. G. Marinopoulos, "Positron lifetimes of bare and hydrogenated zirconium vacancies in cubic yttria-stabilized zirconia: an ab initio study", J. Phys.: Condens. Matter 31, 315503. (2019)

Tabudravu, Jioji N., Pellissier, Léonie, Smith, Alan James, Subko, Karolina, Autréau, Caroline, Feussner, Klaus, Hardy, David, Butler, Daniel, Kidd, Richard, Milton, Edward J., Deng, Hai, Ebel, Rainer, Salonna, Marika, Gissi, Carmela, Montesanto, Federica, Kelly, Sharon M., Milne, Bruce F., Cimpan, Gabriela, Jaspars, Marcel, "LC-HRMS-Database Screening Metrics for Rapid Prioritization of Samples to Accelerate the Discovery of Structurally New Natural Products", Journal of Natural Products 82, 211-220, (2019)

Preciado-Rivas,María Rosa and Mowbray,Duncan John and Lyon,Keenan and Larsen,Ask Hjorth and Milne,Bruce Forbes, "Optical excitations of chlorophyll a and b monomers and dimers", The Journal of Chemical Physics 151, 174102, (2019)

Tânia F. Cova and Bruce F. Milne and Alberto A.C.C. Pais, "Host flexibility and space filling in supramolecular complexation of cyclodextrins: A free-energy-oriented approach", Carbohydrate Polymers 205, 42 - 54 (2019)

Neves, M. C.; Filipe, H. A. L.; Reis, R. L.; Prates Ramalho, J. P.; Coreta-Gomes, F.; Moreno, M. J.; Loura, L. M. S., "Interaction of Bile Salts With Lipid Bilayers: An Atomistic Molecular Dynamics Study", Frontiers in physiology 2019, 10 (393)

Filipe, H. A. L.; Pokorná, Š.; Hof, M.; Amaro, M.; Loura, L. M. S., "Orientation of nitro-group governs the fluorescence lifetime of nitrobenzoxadiazole (NBD)-labeled lipids in lipid bilayers", Phys. Chem. Chem. Phys. 2019, 21 (4), 1682-1688

Wanderson S. Jesus, Jorge M. C. Marques, Frederico V. Prudente, Francisco B. Pereira, "Exploring the first-shell and second-shell structures arising in the microsolvation of Li+ by rare gases", Int J Quantum Chem. 2019;119:e25860.

F. G. A. Estrada, J. M. C. Marques, and A. J. M. Valente,"Molecular Dynamics Insights for Screening the Ability of Polymers to Remove Pesticides from Water" Chemistry Open 8, 438-446 (2019) Open Access DOI: 10.1002/open.201800293

Wanderson S. Jesus, Frederico V. Prudente and Jorge M. C. Marques, "Microsolvation of Li+ in a Mixture of Argon and Krypton: Unveiling the Most Stable Structures of the Clusters", J. Phys. Chem. A 2019, 123, 2867−2873

M. Bartolomei, F. Pirani and J. M. C. Marques, "Aggregation enhancement of coronene molecules by seeding with alkali-metal ions", Phys.Chem.Chem.Phys., 2019, 21, 16005

Matti Knaapila, Beverly Stewart, Vasil M. Garamus, M. Luísa Ramos, Pedro F. Cruz, Rui M. M. Brito, Lícinia L. G. Justino, Rui Fausto, Connor Napierala, Michael Forster, Hugh D. Burrows, Ullrich Scherf, “Poly(9-undecyl-9-methyl-fluorene) and Poly(9-pentadecyl-9-methylfluorene): Synthesis, Solution Structure, and Effect of Side Chain Asymmetry on Aggregation Behavior”, JOURNAL OF POLYMER SCIENCE, PART B: POLYMER PHYSICS, 57 (2019), 57, 826–837

M.M. Rodrigo, M.A. Esteso, L.M.P. Veríssimo, C.M. Romero, M.L. Ramos, L.L.G. Justino, H.D. Burrows, A.C.F. Ribeiro, “Diffusion and structural behaviour of the DL-2-aminobutyric acid”, J. Chem. Thermodynamics 135 (2019) 60–67

Orlando Oliveira, Paulo J. Silva, "Finite Temperature Landau Gauge Lattice Quark Propagator", Eur. Phys. J. C79 (2019) no.9, 793

Helena Pais, Francesca Gulminelli, Constança Providência, Gerd Röpke,"Full distribution of clusters with universal couplings and in-medium effects", Phys.Rev. C99 (2019) no.5, 055806

Constança Providência, Morgan Fortin, Helena Pais, Aziz Rabhi, "Hyperonic stars and the symmetry energy", Front. Astron. Space Sci., 26 March 2019

J. Baltazar, J.A.C. Falcão de Campos, J. Bosschers, D. Rijpkema, "Recent Development in Computational Methods for the Analysis of Ducted Propellers in Open Water",Journal of Ship Research, 2019

G. E. Elsinga, and C. B. da Silva, "How the turbulent/non-turbulent interface is different from internal turbulence", J. Fluid Mech. (2019), vol. 866, pp. 216-238 (Open Access)

Tomoaki Watanabe, Carlos B. da Silva and Koji Nagata,"Non-dimensional energy dissipation rate near the turbulent/non-turbulent interfacial layer in free shear flows and shear free turbulence", J. Fluid Mech. (2019), vol. 875, pp. 321-344.

Pereira, Filipe S. ; Eca, Luis ; Vaz, Guilherme, "Simulation of Wingtip Vortex Flows with Reynolds-Averaged Navier-Stokes and Scale-Resolving Simulation Methods" AIAA JOURNAL 57, 932-948 (2019)

Pereira, Filipe S. ; Eca, Luis ; Vaz, Guilherme,"On the simulation of the flow around a circular cylinder at Re=140, 000", INTERNATIONAL JOURNAL OF HEAT AND FLUID FLOW 76, 40-56 (2019)

Pereira, Filipe S. ; Vaz, Guilherme ; Eca, Luis, "Evaluation of RANS and SRS methods for simulation of the flow around a circular cylinder in the sub-critical regime", OCEAN ENGINEERING 186 (2019)

Pereira, Filipe S. ; Eca, Luis ; Vaz, Guilherme, "Application of second-moment closure to statistically steady flows of practical interest", OCEAN ENGINEERING 189 (2019)

Jorge Pereira, Leandro Ricardo, Miguel Luís, Carlos Senna, and Susana Sargento. "Assessing the reliability of fog computing for smart mobility applications in vanets" ,Future Generation Computer Systems, 94:317 – 332, 2019

Abouali, A; Raposo, J.R; Viegas, D.X. "The role of the terrain-modified wind on driving the fire behaviour over hills - an Experimental and Numerical Analysis", Presented at the Advances in forest fire research. Coimbra, 2018. https://doi.org/10.14195/978-989-26-16-506_75

A. G. Marinopoulos, R.C. Vilao, H.V. Alberto, J.M. Gil, "Electronic structure and migration of interstitial hydrogen in the rutile phase of TiO", J. Phys.: Condens. Matter 30, 425503 (2018)

Silva, Jaime and Milne, Bruce F. and Nogueira, Fernando, "Theoretical Investigation of Single-Molecule Sensing Using Nanotube-Enhanced Circular Dichroism",The Journal of Physical Chemistry A 122, 5666-5670 (2018)

Cova, Tânia F. G. G. and Milne, Bruce F. and Nunes, Sandra C. C. and Pais, Alberto A. C. C.,"Drastic Stabilization of Junction Nodes in Supramolecular Structures Based on Host–Guest Complexes",Macromolecules 51, 2732-2741, (2018)

Osorio, Luis F. B., Carvalho, Samir A., Silva, Edson F. da, Fraga, Carlos A. M., Wardell, Solange M. S. V., Milne, Bruce F., Wardell, James L., Harrison, William T. A.,"Different molecular conformations in the crystal structures of three 5-nitroimidazolyl derivatives",Acta Crystallographica Section E 74, 380-384, (2018)

Machado, F., Sales, F., Santos, C. et al. A knowledge discovery methodology from EEG data for cyclic alternating pattern detection. BioMed Eng OnLine 17, 185 (2018)

L. Cruzeiro,"Protein Folding in vivo: from Anfinsen back to Levinthal", in: Archilla J., Palmero F., Lemos M., S\'anchez-Rey B., Casado-Pascual J. (eds) Nonlinear Systems, Vol. 2. Understanding Complex Systems. (2018) Springer, Cham, pp.3-38

S.G. Rodrigues, A.A.C.C. Pais, J.M.C. Marques, "Two-dimensional clusters from the self-assembly of oppositely charged particles", Chemical Physics Letters 706 (2018) 586–593

Liliana M. Martelo, Sofia M. Fonseca, Ana T. Marques, Hugh D. Burrows, Artur J. M. Valente, Licinia L. G. Justino, Ullrich Scherf, Swapna Pradhan, Qiu Song, “Effects of Charge Density on Photophysics and Aggregation Behavior of Anionic Fluorene-Arylene Conjugated Polyelectrolytes”, Polymers, 10 (2018) 258.

Luis M. P. Verissimo, M. Luísa Ramos, Licínia L. G. Justino, Hugh D. Burrows, Pedro F. Cruz, A. M. T. D. P. V. Cabral, F. J. B. Veiga, M. A. Esteso, Ana C. F. Ribeiro, “The Structure and Diffusion Behaviour of the 1:1 Copper(II) Complex of Ethambutol in Aqueous Solution”, Journal of Molecular Liquids, 262 (2018) 63-70.

Sara S. M. Fernandes, Michael Belsley, Ana I. Pereira, Dzmitry Ivanou, Adélio Mendes, Licínia L. G. Justino, Hugh D. Burrows, and M. Manuela M. Raposo, “Push-pull N,N-Diphenylhydrazones Bearing Bithiophene or Thienothiophene Spacers as NLO Second Harmonic Generators and as Photosensitizers for Nanocrystalline TiO2 DSSCs”, ACS OMEGA, 3 (2018) 12893−12904.

Attilio Cucchieri, David Dudal , Tereza Mendes , Orlando Oliveira , Martin Roelfs , Paulo J. Silva, "Faddeev-Popov Matrix in Linear Covariant Gauge: First Results", Phys.Rev. D98 (2018) no.9, 091504

David Dudal, Orlando Oliveira, Paulo J. Silva , "High precision statistical Landau gauge lattice gluon propagator computation vs. the Gribov–Zwanziger approach", Annals Phys. 397 (2018) 351-36402

J. Baltazar, D. Rijpkema, J.A.C. Falcão de Campos, "On the Use of the \gamma-Re_\theta_t Transition Model for the Prediction of the Propeller Performance at Model-Scale", Ocean Engineering, Vol. 170, pp. 6-19, 2018.

J. Baltazar, D. Rijpkema, J.A.C. Falcão de Campos,"Prediction of the Open-Water Performance of Ducted Propellers with a Panel Method", Journal of Marine Science and Engineering, Vol. 6, 2018.

Tiago S. Silva, Marco Zecchetto and Carlos B. da Silva, "The scaling of the turbulent/non-turbulent interface at high Reynolds numbers", J. Fluid Mech. (2018), vol. 843, pp. 156-179.

Pereira, F. S. ; Vaz, G. ; Eca, L.,"Simulation of the flow around a circular cylinder at Re=3900 with Partially-Averaged Navier-Stokes equations", INTERNATIONAL JOURNAL OF HEAT AND FLUID FLOW 69, 234-246 (2018)

Eca, L. ; Pereira, F. S. ; Vaz, G., "Viscous flow simulations at high Reynolds numbers without wall functions: Is y(+)similar or equal to 1 enough for the near-wall cells?", COMPUTERS & FLUIDS 170, 157-175 (2018)

L. Eça, G. Vaz, M. Hoekstra, "A Contribution for the Assessment of Discretization Error Estimators Based on Grid Refinement Studies", J. Verif. Valid. Uncert. June 2018, 3(2): 021001.

Ramos, J. R., Travasso, R., & Carvalho, J. ,"Capillary network formation from dispersed endothelial cells: Influence of cell traction, cell adhesion, and extracellular matrix rigidity". Physical Review E, 97(1), 012408 (2018)

Moreira-Soares, M., Coimbra, R., Rebelo, L., Carvalho, J., & Travasso, R. D., "Angiogenic Factors produced by Hypoxic Cells are a leading driver of Anastomoses in Sprouting Angiogenesis–a computational study", Scientific reports, 8(1), 8726 (2018).

Beg MNA, Carvalho RF, Tait S, Brevis W, Rubinato M, Schellart A, Leandro J. "A comparative study of manhole hydraulics using stereoscopic PIV and different RANS models". Water Sci Technol. 2017 Apr;2017(1):87-98. doi: 10.2166/wst.2018.089.

Viegas,D.X., Almeida, M.F., Ribeiro, L.M., Raposo, J., Viegas, M.T., Oliveira, R., Alves, D., Pinto, C., Jorge, H., Rodrigues, A. and Lucas, D., 2017. O complexo de incêndios de Pedrógão Grande e concelhos limítrofes, iniciado a 17 de junho de 2017. Centro de Estudos sobre Incêndios Florestais, ADAI/LAETA, Departamento de Engenharia Mecânica, Faculdade de Ciências e Tecnologia, Universidade de Coimbra. https://www.portugal.gov.pt/download-ficheiros/ficheiro.aspx?v=3bb9773b-59fb-4099-9de5-a22fdcad1e3b

M. Bartolomei, F. Pirani, J. M. C. Marques, "Modeling Coronene Nanostructures: Analytical Potential, Stable Configurations and Ab Initio Energies",J. Phys. Chem. C 2017, 121, 26, 14330-14338

Frederico V. Prudente, Jorge M. C. Marques, and Francisco B. Pereira,"Solvation of Li+ by argon: how important are three-body forces?", Phys.Chem.Chem.Phys., 2017 19, 25707

Roberto Rodríguez-Fernández, Francisco B. Pereira, Jorge M.C. Marques, Emilio Martínez-Núñez, Saulo A. Vázquez
"GAFit: A general-purpose, user-friendly program for fitting potential energy surfaces", Computer Physics Communications 217 (2017) 89–98

Cecilia I. A. V. Santos, M. Luísa Ramos, Licínia L. G. Justino, Hugh D. Burrows, Artur J. M. Valente, Miguel A. Esteso, Derek G. Leaist and Ana C. F. Ribeiro, "Effect of pH in the Structure and Mass Transport by Diffusion of Theophylline", The Journal of Chemical Thermodynamics., 110 (2017) 162-170.

M. Luísa Ramos, Licínia L. G. Justino, Rui Barata, Telma Costa, Bernardo A. Nogueira, Rui Fausto and Hugh D. Burrows, "Oxocomplexes of U(VI) with 8-Hydroxyquinoline-5-sulfonate in Solution: Structural Studies and Photophysical Behaviour", Dalton Transactions, 46 (2017) 9358.
Paper highlighted in the inside cover of the Journal.

Sara S. M. Fernandes, I. Mesquita, L. Andrade, A. Mendes, Licínia L. G. Justino, Hugh D. Burrows, M. Manuela M. Raposo, "Synthesis and Characterization of Push-Pull Bithiophene and Thieno [3,2-b]thiophene Derivatives Bearing an Ethyne Linker
as Sensitizers for Dye-Sensitized Solar Cells ", Organic Electronics 49 (2017) 194-205. DOI: 10.1016/j.orgel.2017.06.048

Sara S. M. Fernandes, M. Cidália R. Castro, Ana Isabel Pereira, Adélio Mendes, Carlos Serpa, João Pina, Licínia L. G. Justino, Hugh D. Burrows, and M. Manuela M. Raposo, "Optical and Photovoltaic Properties of Thieno[3,2-b] thiophene-Based Push-Pull Organic Dyes with Different Anchoring Groups for Dye-Sensitized Solar Cells", ACS OMEGA 2, 2017, 9268-9279.

Anthony G. Duarte, Orlando Oliveira, Paulo J. Silva, Reply to “Comment on ‘Lattice gluon and ghost propagators and the strong coupling in pure SU(3)SU(3) Yang-Mills theory: Finite lattice spacing and volume effects” ,Phys.Rev. D96 (2017) no.9, 0985

P. Bicudo, M. Cardoso , O. Oliveira, P.J. Silva, "Lattice QCD static potentials of the meson-meson and tetraquark systems computed with both quenched and full QCD" , Phys.Rev. D96 (2017) no.7, 074508

Jianjun Fang, Helena Pais, Sagar Pratapsi, Contança Providência,"Crust-core transition of a neutron star: effects of the symmetry energy and temperature under strong magnetic fields", Phys.Rev. C95 (2017) no.6, 062801

Jianjun Fang, Helena Pais, Sagar Pratapsi, Sidney Avancini, Jing Li, Constança Providência, "Effect of strong magnetic fields on the crust-core transition and inner crust of neutron stars", Phys.Rev. C95 (2017) no.4, 045802

Sidney S. Avancini, Márcio Ferreira, Helena Pais, Constança Providência, Gerd Röpke, "Light Clusters and Pasta Phases in Warm and Dense Nuclear Matter"
Phys.Rev. C95 (2017) no.4, 045804

Tiago S. Silva and Carlos B. da Silva, "The behaviour of the scalar gradient across the turbulent/non-turbulent interface in jets", PHYSICS OF FLUIDS 29, 085106 (2017)

Manuel Barjona and Carlos B. da Silva,"Kolmogorov’s Lagrangian similarity law revisited", PHYSICS OF FLUIDS 29, 105106 (2017)

Travasso, R. D., dos Aidos, F. S., Bayani, A., Abranches, P., & Salvador, A..
"Localized redox relays as a privileged mode of cytoplasmic hydrogen peroxide signaling". Redox biology, 12, 233-245 (2017).

Mariana Amaro, Hugo A. L. Filipe, J. P. Prates Ramalho, Martin Hof, Luís M. S. Loura,“Fluorescence of nitrobenzoxadiazole (NBD)-labeled lipids in model membranes is connected not to lipid mobility but to probe location”. Phys. Chem. Chem. Phys. 18, 7042-7054 (2016) (DOI: 10.1039/c5cp05238f)

António M. T. M. do Canto, João R. Robalo, Patrícia D. Santos, A. J. Palace Carvalho, J. P. Prates Ramalho, Luís M. S. Loura, “Diphenylhexatriene membrane probes DPH and TMA-DPH: a comparative molecular dynamics simulation study”, Biochimica et Biophysica Acta 1858, 2647–2661 (2016) (DOI: 10.1016/j.bbamem.2016.07.013)

P. J. Silva, O. Oliveira, "Gluon dynamics, center symmetry and the deconfinement phase transition in SU(3) pure Yang-Mills theory", Phys. Rev. D93 (2016) 114509

A. G. Duarte, P. J. Silva, O. Oliveira, "Lattice gluon and ghost propagators and the strong coupling in pure SU(3) Yang-Mills theory: Finite lattice spacing and volume effects", Phys. Rev. D94 (2016) 014502

A. G. Duarte, P. J. Silva, O. Oliveira, "Further evidence for zero crossing on the three gluon vertex", Phys. Rev. D 94 (2016) 074502

L.L.G. Justino, I. Reva and R. Fausto, "Thermally- and Vibrationally-Induced Conformational Isomerizations, Infrared Spectra and Photochemistry of Gallic Acid in Low-Temperature Matrices", J. Chem. Phys., 145 (2016) 014304

R. Fausto and I. Reva, "Photoisomerization of Azobenzenes Isolated in Cryogenic Matrices", L. Duarte, L. Khriachtchev, Phys. Chem. Chem. Phys., 18 (2016) 16802

R.F.G. Apóstolo, R.F. Bento, G. Tarczay and R. Fausto, ,"The First Experimental Observation of the Higher-Energy Trans Conformer of Trifuoroacetic Acid", J. Mol. Struct., 1125 (2016) 288

N. Kus, A. Sharma and R. Fausto,,"First Observation of Methane Photochemical Generation from an N,N-Dimethylamino-Substituted Arene: The Case of 4-(N,N-Dimethylamino)benzaldehyde (DMABA)", Tetrahedron, 72 (2016) 5914

S. Lopes, R. Fausto and L. Khriachtchev,"Acetic Acid - Water Complex: The First Observation of Structures Containing the Higher-Energy Acetic Acid Conformer", J. Chem. Phys., 144 (2016) 084308

J. Silva, M. J. T. Oliveira, S. Lanceros-Mendez, F. Nogueira (2016), “Finite-Size Effects in the Absorption Spectra of a Single-Wall Carbon Nanotube”, Journal of Physical Chemistry C, 120(32), 18268-18274. DOI : 10.1021/acs.jpcc.6b05277

L. Cruzeiro, “The VES Hypothesis and Protein Conformational Changes”, Zeitschrift für Physikalische Chemie, 230, (2016) pp. 743-776

Hugo A. L. Filipe, Lennon S. Santos, J. P. Prates Ramalho, Maria J. Moreno, Luís M. S. Loura, “Behaviour of NBD-head group labelled phosphatidylethanolamines in POPC bilayers: A molecular dynamics study”, Phys. Chem. Chem. Phys. 17, 20066-20079 (2015) (DOI:10.1039/c5cp01596k)

Hugo A. L. Filipe, Lennon S. Santos, J. P. Prates Ramalho, Maria J. Moreno, Luís M. S. Loura, “Behaviour of NBD-head group labelled phosphatidylethanolamines in POPC bilayers: A molecular dynamics study”. Phys. Chem. Chem. Phys. 17, 20066-20079 (2015) (DOI:10.1039/c5cp01596k)

João R. Robalo, J. P. Prates Ramalho, Daniel Huster, Luís M. S. Loura, “Influence of the sterol aliphatic side chain on membrane properties: a molecular dynamics study”. Phys. Chem. Chem. Phys. 17, 22736-22748 (2015) (DOI: 10.1039/c5cp03097h)

Hugo A. L. Filipe, David Bowman, Tiago Palmeira, Renato M. Cardoso, Luís M. S. Loura, Maria J. Moreno, “Interaction of NBD-labelled fatty amines with liquid-ordered membranes: a combined molecular dynamics simulation and fluorescence spectroscopy study”, Phys. Chem. Chem. Phys. 17, 27534-27547 (2015) (DOI: 10.1039/c5cp04191k)

P. Bicudo, D. Binosi, N. Cardoso, O. Oliveira, P. J. Silva, “The lattice gluon propagator in renormalizable \xi gauges”, Phys.Rev. D92 (2015) 114514

S. Lopes, A. Domanskaya, M. Räsänen, L. Khriachtchev and R. Fausto, "Acetic Acid Dimers in a Nitrogen Matrix: Observation of Structures Containing the Higher-Energy Conformer", J. Chem. Phys., 143 (2015) 104307

S. Lopes, I. Reva and R. Fausto, "UV-Induced Photochemistry of Methyl Aziridine-2-Carboxylate Isolated in Low Temperature Inert Matrices", Vibrat. Spectrosc., 81 (2015) 68

R.F.G. Apóstolo, R.R.F. Bento and R. Fausto, "Narrowband IR-Induced In Situ Generation of the High-Energy Trans Conformer of Trichloroacetic Acid Isolated in Solid Nitrogen and its Spontaneous Decay by Tunneling to the Low-Energy Cis Conformer", Croat. Chim. Acta, 88 (2015) 377

O. Unsalan, N. Kus, S. Jarmelo and R. Fausto, "Trans- and Cis-Stilbene Isolated in Cryogenic Argon and Xenon Matrices", Spectrochim. Acta A, 136 (2015) 81

Hugo A. L. Filipe, M. J. Moreno, Tomasz Róg, Ilpo Vattulainen, Luís M. S. Loura, “How to tackle the issues in free energy simulations of long amphiphiles interacting with lipid membranes: convergence and local membrane deformations”, J. Phys. Chem. B. 118,3572-3581 (2014) (DOI: 10.1021/jp501622d)

P. J. Silva, O. Oliveira, P. Bicudo and N. Cardoso, “Gluon screening mass at finite temperature from the Landau gauge gluon propagator in lattice QCD”, Phys. Rev. D89 (2014) 074503

L. Duarte, I. Reva and R. Fausto, "Structural and Spectroscopic Characterization of E- and Z-Isomers of Azobenzene", Phys. Chem. Chem. Phys., 16 (2014) 16849

L. Duarte, I. Reva, M.L.S. Cristiano and R. Fausto, "Photoisomerization of Saccharin", J. Org. Chem., 78 (2013) 3271

L. Duarte, B.M. Giuliano, I. Reva and R. Fausto, "Tautomers and UV-Induced Photoisomerization of a Strongly Intramolecularly H-Bonded Aromatic Azo-Dye:1-(Cyclopropyl)diazo-2-Naphthol", J. Phys. Chem. A, 117 (2013) 10671

L. Cruzeiro, “A kinetic mechanism for in vivo protein folding”, Bio-Algorithms and Med-Systems 10, (2014) pp. 117-127

J.M.C. Marques, J.L. Llanio-Trujillo, M. Albertí, A. Aguilar and F. Pirani, "Microsolvation of the potassium-ion with aromatic rings: comparison between hexafluorobenzene and benzene", J. Phys. Chem. A 117, 8043-8053 (2013); DOI:10.1021/jp405295b

J.L. Llanio-Trujillo, J.M.C. Marques and F.B. Pereira, "New insights on lithium-cation microsolvation by solvents forming hydrogen-bonds: water versus methanol", Comput. Theoret. Chem. 1021, 124-134 (2013); DOI:10.1016/j.comptc.2013.06.043

J.M.C. Marques and F.B. Pereira, "A detailed investigation on the global minimum structures of mixed rare-gas clusters: geometry, energetics and site occupancy", J. Comput. Chem. 34, 505-517 (2013); DOI:10.1002/jcc.23161

L. Cruzeiro, "Nonlinear Models for Protein Folding and Function, In Without Bounds: A Scientific Canvas of Nonlinearity and Complex Dynamics", R. G. Rubio, Y.S. Ryazantsev, V.M. Starov, G.-X. Huang, A.P. Chetverikov, A.A. Nepomnyashchy, A. Ferrus, E.G. Morozov, Eds., Springer-Verlag Berlin Heidelberg, Chapter 46, (2013) pp. 637-648

M. Luísa Ramos, Licínia L.G. Justino, Adriana Branco, Sofia M. Fonseca, Hugh D. Burrows, “Theoretical and experimental insights into the complexation of 8-hydroxyquinoline-5-sulfonate with divalent ions of Group 12 metals”, Polyhedron 52 (2013) 743-749. Invited article for the Special Issue of the 100th Anniversary of the Award of the 1913 Nobel Prize in Chemistry to Alfred Werner: A Celebration

Telma Costa, R. E. Di Paolo, L. Garner, A. Thomas, J. A. S. Almeida, Licínia L.G. Justino, A. A. C. C. Pais, A. L. Maçanita, G. C. Bazan and H. D. Burrows, “Solvent and conformational effects on the photophysics of a homologous progression of N-terminated phenylenevinylene oligomers”, Journal of Physical Chemistry C, 117 (2013) 18353-18366

M. Luísa Ramos, Andreia de Sousa, Licínia L. G. Justino, Sofia M. Fonseca, Carlos F. G. C. Geraldes and Hugh D. Burrows, “Structural and Photophysical Studies on Gallium(III) 8-Hydroxyquinoline-5-Sulfonates. Does Excited State Decay Involve Ligand Photolabilisation?” Dalton Trans. 42 (2013) 3682-3694

Licínia L.G. Justino, M. Luísa Ramos, P. E. Abreu, Ana Charas, Jorge Morgado, Ulli Scherf, Boris F. Minaev, Hans Ågren, Hugh D. Burrows, "Structural and Electronic Properties of Poly(9,9-dialkylfluorene)s Alternating Copolymers in Solution: an NMR Spectroscopy and Density Functional Theory Study", Journal of Physical Chemistry C, 117 (2013) 17969-17982

J. M. C. Marques, A. A. C. C. Pais, and P. E. Abreu, On the Use of Big-Bang Method to Generate Low-Energy Structures of Atomic Clusters Modeled with Pair Potentials of Different Ranges, Journal of Computational Chemistry, 33: 442–452, 2012

Marques, J. M. C.; Llanio-Trujillo, J. L.; Albertí, M.; Aguilar, A.; Pirani, F., Alkali-ion microsolvation with benzene molecules, J. Phys. Chem. A 116,4947-4956 (2012); doi: 10.1021/jp302136u

M. Couceiro, P. Crespo, L. Mendes, N.C. Ferreira, R. Ferreira Marquesa, P. Fonte, Spatial resolution of human RPC-PET system, Nucl. Instrum. Meth. A, vol. 661, Suppl. 1, pp. S156–S158, 2012,

Andrade, LCR , Paixao, JA, de Almeida, MJM , Carvalho, JFS, Silva, MMC, 5 alpha,6 alpha-Epoxy-7-norcholestan-3 beta-yl acetate, ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE Volume: 68 DOI: 10.1107/S1600536811054249

E. L. Silva, A.G. Marinopoulos et al., Hydrogen impurity in yttria: Ab-initio and muSR perspectives, Phys. Rev. B, (accepted, March 2012)

M. Zilhao, V. Cardoso, L. Gualtieri, C. Herdeiro, U. Sperhake and H. Witek, "Dynamics of black holes in de Sitter spacetimes," Phys. Rev. D 85, 104039 (2012)

M. Zilhao, V. Cardoso, C. Herdeiro, L. Lehner and U. Sperhake, "Collisions of charged black holes," Phys. Rev. D 85 (2012) 124062

de Avillez, M. A., & Breitschwerdt, D., "Time-dependent Cooling in Astrophysical Plasmas: The Non-equilibrium Ionization Structure of the Interstellar Medium and X-ray Emission at Low Temperatures", 2012, The Astrophysical Journal Letters, 756, L3. DOI: 10.1088/2041-8205/756/1/L3

de Avillez, M. A., Asgekar, A., Breitschwerdt, D., & Spitoni, E., "Electron Distribution in the Galactic Disk - Results From a Non-Equilibrium Ionization Model of the ISM", 2012, Monthly Notices of Royal Astronomical Society, 423, L107. DOI: 10.1111/j.1745-3933.2012.01267.x

de Avillez, M.A., & Breitschwerdt, D., "Non-Equilibrium Ionization Modeling of the Local Bubble (I) - Tracing CIV, NV and OVI Ions", 2012, Astronomy & Astrophysics, 539, L1. DOI: 10.1051/0004-6361/201117172

Breitschwerdt, D., de Avillez, M.A., Feige, J., & Dettbarn, C., Interstellar Medium Simulations", 2012, Astronomische Nachrichten, 333, 486. DOI:10.1002/asna.201211692

de Avillez, M.A., & Breitschwerdt, D., "Comparison of OVI Absorption from Non-equilibrium Ionization Structure Simulations to FUSE Data", 2012, The Astrophysical Journal Letters. (No Prelo)

Fabrizio Grill, Constança Providência, and Sidney S. Avancini, "Neutron star inner crust and symmetry energy", Phys. Rev. C 85, 055808 – Published 29 May 2012 DOI:10.1103/PhysRevC.85.055808

Ana T. Marques, Hugh D. Burrows, J. Sérgio Seixas de Melo, Artur J. M. Valente, Licínia L. G. Justino, Ullrich Scherf, Eduard Fron, Susana Rocha, Johan Hofkens, Edward W. Snedden and Andrew P. Monkman, "Spectroscopic properties, excitation and electron transfer in an anionic water-soluble-poly(fluorene-alt-phenylene)-perylenediimide copolymer", J. Phys. Chem B. 116 (2012) 7548-7559

M. Luisa Ramos, Licinia L. G. Justino, Andreia I. N. Salvador, Andreia R. E. de Sousa, Paulo E. Abreu, Sofia M. Fonseca, Hugh D. Burrows, “NMR, DFT and luminescence studies of the complexation of Al(III) with 8-hydroxyquinoline-5-sulfonate” Dalton Trans. 41 (2012) 12478-12489

Estreicher, S. K. and Carvalho, A, The CuPL defect and the Cus1Cui3 complex, Physica B (in print) doi:10.1016/j.physb.2011.08.002

Silva E. L.; Coutinho J.; Carvalho A.; et al., Electronic structure of Zn, Cu and Ni impurities in germanium, Journal of Physics: Condensed Matter, Volume 23, Issue: 6, Article Number 065802, DOI: 10.1088/09538984/

Carvalho, A., Estreicher, S. K., and Backlund, D. J., Four-copper complexes in Si and the Cuphotoluminescence defect: A first principles study, Physical Review B (in print) DOI: 10.1103/PhysRevB.00.005300

Carvalho A.; Coutinho J.; Barroso M.; et al., Electronic structure modification of Si nanocrystals with F(4)TCNQ, Phys. Rev. B, Volume: 84, Issue: 12, Article Number: 125437, DOI:10.1103/PhysRevB.84.125437 Published: SEP 19 2011

João A.S. Almeida, Sandra R. Pinto, Yujie Wang, Eduardo F. Marques, and Alberto A.C.C.Pais, Modulation of DODAB bilayers by dicationic gemini surfactants as studied bydifferential scanning calorimetry and molecular dynamics, Phys. Chem. Phys., 13 (2011) 13772-­‐13782

João A. S. Almeida, Henrique Faneca, Rui A. Carvalho, Eduardo F. Marques, and Alberto A. C. C. Pais, Dicationic alkylammonium bromide gemini surfactants. Membrane perturbation and skin irritation. Accepted for publication in PLoS ONE.

S. Lopes, C. M. Nunes, A. Gómez-Zavaglia, T. M.V.D. Pinho e Melo and R. Fausto, Photochemistry and Vibrational Spectra of Matrix-Isolated Methyl 4-Chloro-5-phenylisoxazole-3-carboxylate. J Phys. Chem. A, 115 (2011) 1199-1209

Licínia L.G. Justino, M. Luísa Ramos, Matti Knaapila, Ana T. Marques, Christof Kudla, Ullrich Scherf, László Almásy, Ralf Schweins, Hugh D. Burrows and Andrew P. Monkman, Gel Formation and Interpolymer Alkyl Chain Interactions with Poly(9,9-dioctylfluorene-2,7-diyl) (PFO) in Toluene Solution: Results from NMR, SANS, DFT, and Semiempirical Calculations and Their Implications for PFO beta-Phase Formation, Macromolecules 44 (2011) 334-343. DOI: 10.1021/ma102235r

M. Luísa Ramos, Licínia L.G. Justino, Hugh D. Burrows, Structural considerations and reactivity of peroxocomplexes of V(V), Mo(VI) and W(VI), Dalton Perspective, Dalton Trans. 40 (2011) 4374-4383, DOI: 10.1039/c0dt01095b

M. Luísa Ramos, Licínia L. G. Justino, Adriana Branco, Cláudia M. G. Duarte, Paulo E. Abreu, Sofia M. Fonseca, Hugh D. Burrows, NMR, DFT and Luminescence Studies of the Complexation of Zn(II) with 8-hydroxyquinoline-5-sulfonate, Dalton Trans. (2011), DOI: 10.1039/c1dt10978b

O. Oliveira, P. Bicudo, Running Gluon Mass from Landau Gauge Lattice QCD Propagator, J Phys G38, 045003 (2011)

Pedro Costa, O. Oliveira, P. J. Silva, What Does Low Energy Physics Tell Us About The Zero Momentum Gluon Propagator, Phys. Lett. B695, 454-458 (2011)

Kristian Støchkel, Bruce F. Milne, and Steen Brøndsted Nielsen, Absorption Spectrum of the Firefly Luciferin Anion Isolated in Vacuo, Journal of Physical Chemistry A 115 (11), 2155-2159 (2011)

Duanjun Cai, Miguel A. L. Marques, Fernando Nogueira, Accurate Color Tuning of Firefly Chromophore by Modulation of Local Polarization Electrostatic Fields, The Journal of Physical Chemistry B 115, 329-332 (2011)

A.G. Marinopoulos, First-principles study of segregation to the Ʃ5(310) grain boundary of cubic zirconia, J. Phys.: Condens. Matter 23, 085005 (2011)

A.G. Marinopoulos and Myrta Grüning, Local-field and excitonic effects in the optical response of α-alumina, Phys. Rev. B 83, 195129 (2011)

R.C. Vilão, A.G. Marinopoulos et al., Hydrogen impurity in paratellurite (α-TeO_2 ): Muon-spin rotation and ab-initio studies, Phys. Rev. B 84, 045201 (2011)

Andrade, LCR, de Almeida, MJBM, Paixao, Carvalho, JFS, Melo, MLSE, Androstane-3 beta,5 alpha,6 beta,17 beta-tetrol trihydrate, ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE Volume: 67 Pages: O1643-U311 DOI: 10.1107/S1600536811021349

Andrade, LCR, de Almeida, MJBM, Paixao, JA, Carvalho, JFS, Melo, MLSE, 3 beta,5 alpha,6 beta-Trihydroxyandrostan-17-one, ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE Volume: 67 Pages: O1056-U1618 DOI: 10.1107/S1600536811011706

Rui D. M. Travasso, Eugenia Corvera Poiré, Mario Castro, Juan Carlos Rodríguez-Manzaneque, A. Hernández-Machado, Tumor Angiogenesis and Vascular Patterning: A Mathematical Model PLoS ONE 6, e19989 (2011)

Rui D. M. Travasso, Mario Castro, and Joana C. R. E. Oliveira, The phase-field model in tumor growth, Philosophical Magazine 91, 183-206 (2011)

J. M. Fernandes, A. I. F. Vaz, and L. N. Vicente, Modelling nearby FGK Population I stars: A new form of estimating stellar parameters using an optimization approach, Astronomy & Astrophysics 532, A20 (2011)

L. Cruzeiro, The VES Hypothesis and Protein Misfolding, Discrete and Continuous Dynamical Systems Series S 4: 1033-1046 (2011)

M. Zilhao, M. Ansorg, V. Cardoso, L. Gualtieri, C. Herdeiro, U. Sperhake and H. Witek, "Higher-dimensional puncture initial data," Phys. Rev. D 84, 084039 (2011)

D. D’Alimonte,G. Zibordi,Tamito Kajiyama, and José C. Cunha, Monte Carlo code for high spatial resolution ocean color simulations, APPLIED OPTICS, Vol. 49, No. 26, 10 September 2010

M. Couceiro, P.Crespo, L.Mendes, N.Ferreira, R. F. Marques, P.Fonte, Spatial resolution of human RPC-PET system, Nuclear Instruments and Methods in Physics Research A661 (2012) S156–S158

D. Dudal, O. Oliveira, N. Vandersickel, Indirect lattice evidence for the Refined Gribov-Zwanziger formalism and the gluon condensate A^2 in the Landau gauge, Phys. Rev. D81, 074505 (2010)

Simões, C. J. V., Mukherjee, T., Brito, R. M. M. and Jackson, R. M., Toward the Discovery of Functional Transthyretin Amyloid Inhibitors : Application of Virtual Screening Methods, Journal of Chemical Information and Modeling (ACS), 50 (10), 1806-1820 (2010)

Rodrigues, J.R., Simões, C.J.V., Silva, C.G., Brito, R.M.M., Potentially amyloidogenic conformational intermediates populate the unfolding landscape of transthyretin: insights from molecular dynamics simulations, Protein Sci. 19(2), pp. 202-219. (http://dx.doi.org/10.1002/pro.289)

Susy Lopes, Alexandra V. Domanskaya, Rui Fausto, Markku Räsänen and Leonid Khriachtchev, Formic and acetic acids in a nitrogen matrix: Enhanced stability of the higher-energy conformer, J. Chem. Phys., 133 (2010) 144507-7

H. Witek et al, Numerical relativity for D dimensional spacetimes: Head on collisions of black holes and gravitational wave extraction, Phys. Rev.D82:104014, 2010

H. Witek et al, Black holes in a box: towards the numerical evolution of black holes in AdS“, Phys. Rev. D82:104037,2010

Cláudia Cardoso, Paulo E. Abreu, Bruce F. Milne and Fernando Nogueira, Computational Study of Molecules with High Intrinsic Hyperpolarizabilities, The Journal of Physical Chemistry A 114 (39), 10676-10683 (2010)

Duanjun Cai, Miguel A. L. Marques, Bruce F. Milne and Fernando Nogueira, Bioheterojunction Effect on Fluorescence Origin and Efficiency Improvement of Firefly Chromophores, The Journal of Physical Chemistry Letters 1 (19), 2781-2787 (2010)

Margey Tadesse, Morten B. Strøm, Johan Svenson, Marcel Jaspars, Bruce F. Milne, Veronika Tørfoss, Jeanette H. Andersen, Espen Hansen, Klara Stensvåg, and Tor Haug, Synoxazolidinones A and B: Novel Bioactive Alkaloids from the Ascidian Synoicum pulmonaria, Organic Letters 12, 4752-4755 (2010)

Wael M. Abdel-Mageed, Bruce F. Milne, Marcell Wagner, Marc Schumacher, Peter Sandor, Wasu Pathom-aree, Michael Goodfellow, Alan T. Bull, Koki Horikoshi, Rainer Ebel, Marc Diederich, Hans-Peter Fiedler and Marcel Jaspars, Dermacozines, a new phenazine family from deep-sea dermacocci isolated from a Mariana Trench sediment, Organic & Biomolecular Chemistry 8, 2352-2362 (2010)

Bruce F. Milne, Miguel A. L. Marques and Fernando Nogueira, Fragment molecular orbital investigation of the role of AMP protonation in firefly luciferase pH-sensitivity, Physical Chemistry Chemical Physics 12, 14285-14293 (2010)

L. Cruzeiro, Protein Folding, Chem. Modell. 7: 89-114 (2010)

Silva, PSP, Cardoso, C, Silva, MR, Paixao, JA, Beja, AM, Garcia, Lopes, N, Crystal Structure and Experimental and Theoretical Studies of the Second-Order Nonlinear Optical Properties of Salts of Triphenylguanidine with Carboxylic Acids, JOURNAL OF PHYSICAL CHEMISTRY A Volume: 114 Issue: 7 Pages: 2607-2617 DOI: 10.1021/jp909005q

3 beta-Acetoxy-lup-20(29)-en-28-yl 1H-1,2,4-triazole-1-carboxylate Author(s): Santos, RC (Santos, R. C.)2; Beja, AM (Matos Beja, A.)1; Salvador, JAR (Salvador, J. A. R.)2; Paixao, JA (Paixao, J. A.)1 Source: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE Volume: 66 Pages: O3041-U2110 DOI: 10.1107/S1600536810043515 Part: Part 11 Published: NOV 2010

Andrade, LCR, Paixao, JA, de Almeida, MJM, Neves, MAC, Melo, MLSE, 6-[(4-Fluorophenyl)(1H-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol and 6-[(4-methoxyphenyl)(1H-imidazol-1-yl)methyl]-1,3-benzodioxol-5-ol, ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS Volume: 66 Pages: o499-o502 DOI: 10.1107/S0108270110034773

Santos, RC , Pinto, RMA, Beja, AM, Salvador, JAR, Paixao, 3-Oxo-18 alpha-olean-28, 13 beta-olide, ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE Volume: 66 Pages: O2139-U2271 DOI: 10.1107/S160053681002903X

Santos, RC, Beja, AM, Salvador, JAR, Paixao, beta-Hydroxylup-20(29)-en-28-yl 1H-imidazole-1-carboxylate, ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE Volume: 66 Pages: O1878-U1214 DOI: 10.1107/S160053681002489X

Rui D. M. Travasso, Patrícia F. N. Faísca, Antonio Rey, The protein folding transition state: Insights from kinetics and thermodynamics, J. Chem. Phys. 133, 125102 (2010)

Patrícia F N Faísca, Rui D M Travasso, Tiago Charters, Ana Nunes and Marek Cieplak, The folding of knotted proteins: insights from lattice simulations, Physical Biology 7, 016009 (2010)

Patrícia F. N. Faísca, Ana Nunes, Rui D.M. Travasso, and Eugene I. Shakhnovich, Non-native interactions play an effective role in protein folding dynamics, Protein Science 19, 2196-2209 (2010)

Abbott et al., Study on reconstructed object definition and selection for top physics, ATL-COM-PHYS-2009-633

M.J.T. Oliveira, F. Nogueira, M.A.L. Marques, Angel Rubio, Photoabsorption Spectra of Small Cationic Xenon Clusters from Time-Dependent Density Functional Theory , J. Chem. Phys. 131, 214302 (2009)

S. Botti, A. Castro, N.N. Lathiotakis, X. Andrade, and M.A.L. Marques, Optical and magnetic properties of boron fullerenes, Phys. Chem. Chem. Phys. 11, 4523-4527 (2009)

S. Botti, H.-C. Weissker, and M.A.L. Marques, Alloying effects on the optical properties of Ge1-xSix nanocrystals from TDDFT and comparison with effective-medium theory, Phys. Rev. B 79, 155440 (2009)

N.N. Lathiotakis, S. Sharma, J.K. Dewhurst, F.G. Eich, M.A.L. Marques, and E.K.U. Gross, Density-Matrix-Power Functional: Performance for Finite Systems and the Homogeneous Electron Gas, Phys. Rev. A 79, 040501(R) (2009)

P. Crespo. J. Reis, M. Couceiro, A. Blanco, N.C. Ferreira, R. Ferreira Marques, P. Fonte, Whole-body single-bed time-of-flight RPC-PET: simulation of axial and planar sensitivities with NEMA and anthropomorphic phantoms, In Conf. Records 2009 IEEE Nucl. Sci. Symp. & Med. Imag. Conf. (NSS-MIC), Orlando, FL, USA, October 2009, pp. 3420-3425, http://dx.doi.org/10.1109/NSSMIC.2009.5401775

O. Oliveira, P. J. Silva, Does The Lattice Zero Momentum Gluon Propagator for Pure Gauge SU(3) Yang-Mills Theory Vanish in the Infinite Volume Limit? Phys. Rev. D 79, 031501(R) (2009)

O. Oliveira, P. J. Silva, Infrared Gluon and Ghost Propagators Exponents From Lattice QCD, EPJC 62, 525-534 (2009)

Geraldo M. de Lima, Bruce F. Milne, Robson P. Pereira, Ana Maria Rocco, Janet M.S. Skakle, Anthony J. Travis, James L. Wardell and Solange M.S.V. Wardell, Experimental and ab initio structural study of estertin compounds,X3SnCH2CH2CO2Me: crystal structures of Cl3SnCH2CH2CO2Me at 120 K and Br3SnCH2CH2CO2Me at 120 and 291K, Journal of Molecular Structure 921, 244-250 (2009)

C. Cardoso and P. E. Abreu and F. Nogueira, Structure Dependence of Hyperpolarizability in Octopolar Molecules, J. Chem. Theory Comput. 5, 850-858 (2009)

M. R. Silva, V. M. Moreira, C. Cardoso, A. M. Beja, J. A. R. Salvador, 3-Oxoandrosta-4,6-dien-17-yl-2-methyl-1H-imidazole-1-carboxylate and 3-oxo-5a-androst-17-yl-2-methyl-1H-imidazole-1-carboxylate:C-H.p and p.p intermolecular interactions, Acta Cryst. C 65, o88 (2009)

W. G. Newton and J. R. Stone, Modeling nuclear “pasta” and the transition to uniform nuclear matter with the 3D Skyrme-Hartree-Fock method at finite temperature: Core-collapse supernova, Phys. Rev. C 79, 055801 (2009)

H.D. Burrows, M.J. Tapia, S.M. Fonseca, A.J.M. Valente, V.M.M. Lobo, L.L.G. Justino, S. Qiu, S. Pradhan, U. Scherf, N. Chattopadhyay, M. Knaapila and V.M. Garamus, Aqueous Solution Behaviour of Anionic Fluorene-co-thiophene-Based Conjugated Polyelectrolytes, ACS Appl. mater. Interfaces 1 (2009) 864-874. DOI: 10.1021/am800267n

Licínia L.G. Justino, M. Luísa Ramos, Paulo E. Abreu, Rui Carvalho, Abilio J.F.N Sobral, U. Scherf, Hugh D. Burrows, Studies of Poly(9,9-dialkylfluorene)s Conformation in solution using NMR spectroscopy and Density Functional Theory Calculations, J. Phys. Chem. B. 113 (2009) 11808-11820. DOI: 10.1021/jp902666e

M. Luísa Ramos, Licínia L. G. Justino, Victor M. S. Gil, Hugh D. Burrows, NMR and DFT stidies of the complexation of W(VI) and Mo(VI) with 3-phospho-D-glyceric and 2-phospho-D-glyceric acids, Dalton Trans. (2009) 9616-9624. DOI: 10.1039/b905933d

Licínia L.G. Justino, M. Luísa Ramos, Martin Kaupp, Hugh D. Burrows, Carlos Fiolhais and Victor M.S. Gil, Density Functional Theory Study of the Oxoperoxo Vanadium(V) Complexes of Glycolic Acid. Structural Correlations with NMR Chemical Shifts, Dalton Trans. (2009) 9735-9745. DOI: 10.1039/b910033d

Santos, RC, Pinto, RMA, Beja, AM, Salvador, JAR, Paixao, JA, 19 beta,28-Epoxy-18 alpha-olean-3 beta-ol, ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE Volume: 65 Pages: O2088-U1441 DOI: 10.1107/S1600536809030311

Pinto, RMA, Silva, MR, Beja, AM, Salvador, JAR, Paixao, JA, 6 beta-Hydroxy-5 beta-methyl-20-oxo-19-norpregn-9(10)-en-3 beta-yl acetate, ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS Volume: 65 Pages: O214-O216 DOI: 10.1107/S0108270109010233

L. Cruzeiro and P.A. Lopes, Are the native states of proteins kinetic traps?, Mol. Phys 107: 1485-1493 (2009)

Silva, C.G., Ferreira, P.G., Azevedo, P.J., Brito, R.M.M., Using data mining techniques to probe the role of hydrophobic residues in protein folding and unfolding simulations, In Pedro San-Bento Furtado (Ed.), Evolving application domains of data warehousing and mining: Trends and Solutions, Information Science Reference, Cap. 12, pp. 258-276

S. Botti, A. Castro, X. Andrade, A. Rubio, and M.A.L. Marques, Ab initio calculation and modelling of van der Waals interactions between nanostructures and surfaces, Phys. Rev. B 78, 035333 (2008)

P. Bicudo, M. Cardoso, O. Oliveira, First study of the gluon-quark-quark-antiquark static potential in SU(3) Lattice QCD, Phys. Rev. D77, 091504 (2008)

G. Aad et al. [ATLAS Collaboration], The ATLAS Experiment at the CERN Large Hadron Collider, JINST 3 (2008) S08003

A. Castro, M.A.L. Marques, A.H. Romero, M.J.T. Oliveira, and A. Rubio, The role of dimensionality on the quenching of spin-orbit effects in the optics of gold nanostructures, J. Chem. Phys. 129, 144110 (2008)

M.J.T. Oliveira, Alberto Castro, M.A.L. Marques, and A. Rubio, On the use of Neumann principle for the calculation of the polarizability tensor, J. Nanosci. Nanotechno. 8, 3392-3398 (2008)

Ana T. Marques, Joana A. Silva, Manuela Ramos Silva, Ana Matos Beja, Licinia L.G. Justino, Abilio J.F.N. Sobral, X-Ray diffraction and DFT studies of 2-methoxy-5-phenylaniline, J. Chem. Crystallogr. 38 (2008) 295-299. DOI: 10.1007/s10870-007-9306-6

M. Knaapila, L. Almásy, V.M. Garamus, M.L. Ramos, L.L.G. Justino, F. Galbrecht, E. Preis, U. Scherf, H.D. Burrows, A.P. Monkman, An effect of side chain length on the solution structure of poly(9,9-dialkylfluorene)s in toluene, Polymer 49 (2008) 2033-2038. DOI: 10.1016

L.L.G. Justino, M.L. Ramos, F. Nogueira, A.J.F.N Sobral, C.F.G.C. Geraldes, M. Kaupp, H.D. Burrows, C. Fiolhais and V.M.S. Gil, Oxoperoxo Vanadium(V) Complexes of L-Lactic Acid: Density Functional Theory Study of Structure and NMR Chemical Shifts, Inorg. Chem. 47 (2008) 7317-7326. DOI: 10.1021/ic800405x

Abilio J. F. N. Sobral, Licinia L. G. Justino, Ana C. C. Santos, Joana A. Silva, Cláudia T. Arranja, Manuela Ramos Silva, Ana Matos Beja, Synthesis and Structural Characterization of a New Self-Assembled Disulphide Linked meso-Tetrakis-Porphyrin Macromolecular Array, J. Porphyr. Phthalocya. 12 (2008) 845-848

Pinto, RMA, Salvador, JAR, Paixao, JA, 5 beta,6 beta-Epoxy-17-oxoandrostan-3 beta-yl acetate and 5 beta,6 beta-epoxy-20-oxopregnan-3 beta-yl acetate, ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS Volume: 64 Pages: O279-O282 DOI: 10.1107/S0108270108009621 Part: Part 5 Published: MAY 2008

Silva, PSP, Cardoso, C, Silva, MR, Paixao, JA, Beja, AM, Nogueira, F, Density functional and X-ray diffraction studies of two polymorphs of N,N ',N ''-triphenylguanidine , JOURNAL OF MOLECULAR STRUCTURE Volume: 888 Issue: 1-3 Pages: 92-98 DOI: 10.1016/j.molstruc.2007.11.033

Cardoso, C, Silva, PSP, Silva, MR, Beja, AM (Beja, A. Matos), Paixao, JA, Nogueira, F., Sobral, AJFN, Experimental and ab-initio studies of the spectroscopic properties of N,N ', N ''-triphenylguanidine and N,N ',N ''-triphenylguanidinium chloride, JOURNAL OF MOLECULAR STRUCTURE Volume: 878 Issue: 1-3 Pages: 169-176, DOI:10.1016/j.molstruc.2007.08.012

C. Cardoso , R. P. Borges , T. Gasche, M. Godinho, Ab-initio calculations of the Ruddlesden-Popper phases CaMnO3, CaO(CaMnO3) and CaO(CaMnO3)2, J. Phys.: Condens. Matter 20, 035202 (2008)

C. Cardoso , T. Gasche, M. Godinho, J., Magnetic structure of MFe4Al8, M=Y and U : a comparative study, J. Phys.: Condens. Matter 20 075224 (2008) doi:10.1088/0953-8984/20/7/075224

C. Cardoso , T. Gasche, M. Godinho, J., Magnetic structure of MFe4Al8, M=Y and U : a comparative study, J. Phys.: Condens. Matter 20 (2008) 075224 (9pp) doi:10.1088/0953-8984/20/7/075224

M. R. Silva, V. M. Moreira, C. Cardoso, A. M. Beja, J. A. R. Salvador, Conformation of 17-chloro-16-formylandrosta-5,16-dien-3 beta -yl acetate and 17-chloroandrosta-5,16-dien-3 beta -yl acetate, Acta Cryst. C 64, o529 (2008)

M. R. Silva, V. M. Moreira, C. Cardoso, A. M. Beja, J. A. R. Salvador, A. R. Jorge, 1H-Indazole and 2H-indazole derivatives of androsta-5,16-dien-3 beta-ol , Acta Cryst. C 64, O217 (2008)

Patricia F.N. Faisca, Rui D.M. Travasso, Robin C. Ball, and Eugene I. Shakhnovich, Identifying critical residues in protein folding: Insights from -value and Pfold analysis, J. Chem Phys 129, 095108 (2008).

L. Cruzeiro, Protein's multi-funnel energy landscape and misfolding diseases, J. Phys. Org. Chem. 21: 549-554 (2008).

Ferreira, P.G., Silva, C.G., Azevedo, P.J., Brito, R.M.M, Spatial Clustering of Molecular Dynamics Trajectories in Protein Unfolding Simulations, Lecture Notes in Bioinformatics, vol. 5488, pp.156-166, Springer-Verlag.

Fernandes, E., Jorge, A.M., Silva, C.G., Brito, R.M.M. A knowledge discovery method for the characterization of protein unfolding processes, Advances in Soft Computing, vol. 49, pp. 180-188.

M.A.L. Marques, A. Castro, G. Malloci, G. Mulas, and S. Botti. Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to polycyclic aromatic hydrocarbons, J. Chem. Phys. 127, 014107 (2007)

Xavier Andrade, Silvana Botti, M.A.L. Marques, and Angel Rubio, A time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities, J. Chem. Phys. 126, 184106 (2007)

S. Botti and M.A.L. Marques, Identification of CdSe fullerene-like nanoparticles from optical spectroscopy calculations, Phys. Rev. B 75, 035311 (2007)

Cucchieri, T. Mendes, O. Oliveira, P. J. Silva, Just how different are SU(2) and SU(3) Landau propagators in the IR regime? Phys. Rev. D76, 114507 (2007)

Cucchieri, T. Mendes. O. Oliveira, P. J. Silva, Comparing Pure Yang-Mills SU(2) and SU(3) Propagators, Int. Jour. Mod. Phys E 16, 2931 (2007)

O. Oliveira, P. J. Silva, Exploring the infrared gluon and ghost propagators using large asymmetric lattices, Braz. J. Physics 37, 201-207 (2007)

O. Oliveira, P. J. Silva, Infrared Gluon and Ghost Propagators from Lattice QCD. Results from large asymmetric lattices, EPJA 31, 790 (2007)

M. Ramos Silva, P.S. Pereira Silva, A. Matos Beja, J.A. Paixão, L.L.G. Justino and A.J.F.N. Sobral, "Density functional and X-ray diffraction studies of bis(isocinchomeronic acid) trihydrated", J. Molec. Struct. 837 (2007) 58-62

Paulo J. Silva, Orlando Oliveira, “Lattice computation of the quark propagator in Landau gauge at finite temperature”, PoS LATTICE2019, 047 (2020)

Jaime Silva and Bruce F Milne and Fernando Nogueira, “On the Single Wall Carbon Nanotube Surface Plasmon Stability”, EPJ Web of Conferences, 233, 05009 (2020), DOI 10.1051/epjconf/202023305009

DCA Silva, DA Vaz, G Di Achille (2020). Towards an Improved Morphometric Database of Valleys and Fans on Mars. 52nd Lunar and Planetary Science Conference, held virtually, 15-19 March, 2021. LPI Contribution No. 2548, id.2084. https://ui.adsabs.harvard.edu/link_gateway/2021LPI....52.2084S/PUB_PDF

J. Baltazar, D. Rijpkema, J.A.C. Falcão de Campos, "Prediction of the Propeller Performance at Different Reynolds Number Regimes with RANS", Sixth International Symposium on Marine Propulsors, Rome, Italy, 2019

Luís Eça, Rui Lopes, Filipe Soares Pereira, Guilherme Vaz, "Numerical and Parameter Uncertainties: Are they independent?", ASME Verification and Validation Symposium 2019, Las Vegas, USA

Paulo J. Silva, Orlando Oliveira, "Lattice Landau gauge quark propagator at finite temperature", PoS Confinement2018 (2019) 163

David Dudal, Orlando Oliveira, Paulo Silva, "High Precision Statistical Landau Gauge Lattice Gluon Propagator Computation", PoS Confinement2018 (2019) 265, PoS LATTICE2018 (2018) 321

Attilio Cucchieri, David Dudal , Tereza Mendes , Orlando Oliveira , Martin Roelfs , Paulo J. Silva,"Ghost Sector in Minimal Linear Covariant Gauge", PoS Confinement2018 (2018) 043

Attilio Cucchieri, David Dudal , Tereza Mendes , Orlando Oliveira , Martin Roelfs , Paulo J. Silva,"Lattice Computation of the Ghost Propagator in Linear Covariant Gauges", PoS LATTICE2018 (2018) 252

Paulo J. Silva, Orlando Oliveira, David Dudal, Martin Roelfs, "Finite temperature gluon propagator in Landau gauge: non-zero Matsubara frequencies and spectral densities", EPJ Web Conf. 175 (2018) 07038

Paulo J. Silva, Orlando Oliveira, David Dudal, Martin Roelfs, "Lattice Landau gauge gluon propagator at finite temperature: non-zero Matsubara frequencies and spectral densities", Acta Phys.Polon.Supp. 10 (2017) 995

J. Baltazar, J.A.C. Falcão de Campos, J. Bosschers, D. Rijpkema, "Recent Development in Computational Methods for the Analysis of Ducted Propellers in Open Water", 32nd Symposium on Naval Hydrodynamics, Hamburg, Germany, 2018.

O. Oliveira, P. J. Silva, “Z(N) dependence of the pure Yang-Mills gluon propagator in the Landau gauge near Tc”, PoS (LATTICE2014) 355

P. Martins, A. Blanco, F. Caramelo, M. Couceiro, N.C. Ferreira, R. Ferreira Marques, P. Fonte, L. Mendes, P. Crespo, A direct time-of-flight reconstruction for whole-body single-bed RPC-PET: Results from lesion and anthropomorphic simulated data, In Conf. Records 2011 IEEE Nucl. Sci. Symp. & Med. Imag. Conf. (NSS-MIC), Valencia, Spain, October 2011, pp.2610-2616

A.K. Biegun, E. Seravalli, P. Cambraia Lopes, I. Rinaldi, M. Pinto, D. Oxley, P. Dendooven, F. Verhaegen, K. Parodi, D.R. Schaart, P. Crespo, Range and density variations monitoring during proton therapy based on time-of-flight detection of prompt gamma radiation, In Conf. Records 2011 IEEE Nucl. Sci. Symp. & Med. Imag. Conf. (NSS-MIC), Valencia, Spain, October 2011, pp. 3492-3495

L. Cruzeiro and P.A. Lopes, “Parallel Computing and Protein Design”, in IBERGRID - 4th Iberian Grid Infrastructure Conference Proceedings, A. Proença, A. Pina, J.G. Tobío and L. Ribeiro, Eds., Netbiblo, S.L., Spain, 2010, pp. 132-143

Silva, C.G., Palma, R., Simões, J.R., Loureiro-Ferreira, N., Simões, C.J.V, Swain, M., Dubitzky, W., Brito, R.M.M. P-found GRID: A Grid-enabled repository prototype for protein simulation data, Proceedings of the Third Iberian Grid Infractructure Conference, IBERGRID’ 2009, Valência, Espanha, pp. 54-61

Silva, C.G., Brito,J., Swain,M., Dubitzky, W., Brito, R.M.M., P-found GRID: A distributed repository for protein folding and unfolding simulations, Proceedings of the Second Iberian Grid Infractructure Conference, IBERGRID’2008, Porto, Portugal, pp. 152-162

P. Alberto, P. Almeida, M. Fiolhais, M. Oliveira e L. Pinto, Milipeia: A new cluster at the University of Coimbra, Proceedings IBERGRID, 1st Iberian Grid Infrastructure Conference, J. Tobío et al. (Eds.), Fundación CESGA, ISBN 978-84-611-6634-3