Recent Publications

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2021
Ensina, Ana, Patr{\'ı}cia M. Carvalho, Jorge Machado, Maria Lu{\'ı}sa Carvalho, Diogo Casal, Diogo Pais, José Paulo Santos, António A. Dias, and Sofia Pessanha. "Analysis of human tissues using Energy Dispersive X Ray Fluorescence – Dark matrix determination for the application to cancer research." Journal of Trace Elements in Medicine and Biology 68 (2021): 126837. AbstractWebsite
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2015
Guerra, M., S. C. Pé-Leve Santos, A. M. E. Barroso, C. P. S. Fonseca, M. Eloy Cruz, P. Amaro, J. L. Figueirinhas, M. L. Carvalho, and J. P. Santos. "Spatially resolved determination of toxic trace elements in plants of Panasqueira mining region using micro X-ray fluorescence." Microscopy and Microanalysis 21 (2015): 54-55. AbstractWebsite
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2013
EPS. "Euphysics News." 44 (2013): 1-36. Abstract
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2008
Morrison, J. C., S. Boyd, L. Marsano, B. Bialecki, T. Ericsson, and J. P. Santos. "Numerical methods for solving the Hartree-Fock equations of diatomic molecules I." Communications in Computational Physics 5 (2008): 959-985. AbstractWebsite
The theory of domain decomposition is described and used to divide the variable domain of a diatomic molecule into separate regions which are solved independently. This approach makes it possible to use fast Krylov methods in the broad interior of the region while using explicit methods such as Gaussian elimination on the boundaries. As is demonstrated by solving a number of model problems, these methods enable one to obtain solutions of the relevant partial differential equations and eigenvalue equations accurate to six significant figures with a small amount of computational time. Since the numerical approach described in this article decomposes the variable space into separate regions where the equations are solved independently, our approach is very well-suited to parallel computing and offers the long term possibility of studying complex molecules by dividing them into smaller fragments that are calculated separately.