Publications
Structure and properties of nanoscale materials: theory and atomistic computer simulation. International Journal of Nanotechnology. 9(3-7):576–604.
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2012. Simple views on surface stress and surface energy concepts. Advances in Natural Sciences: Nanoscience and Nanotechnology. 5:013002.
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2013. Role of temperature in the formation and growth of gold monoatomic chains: A molecular dynamics study. Physical Review B. 88:235438.
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2013. Production of H 2 by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical study. Cement and Concrete Research. 100:110-118.
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2017. .
2014. Molecular dynamics simulations of the formation of 1D spin-valves from stretched Au-Co and Pt-Co nanowires. J. Phys.: Condens. Matter. 26(Special issue: Break junctions)
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2014. Magnetic nanopantograph in the SrCu2(BO3)2 Shastry–Sutherland lattice. Proceedings of the National Academy of Sciences. 112:1971-1976.
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2015. Magnetic nanopantograph in the SrCu 2 (BO 3 ) 2 Shastry–Sutherland lattice. Proceedings of the National Academy of Sciences. 112(7):1971-1976.
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2015. Magnetic interactions in 3d metal chains on Cu2X/Cu(001) (X = N, O): Comparison with corresponding unsupported chains. Physical Review B. 90:195423.
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2014. A density functional approach of the magnetism of b-TeVO4. Phys. Rev. B.. 89
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2014. Density functional approach for the magnetism of. Physical Review B. 89(10)
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2014. Cement As a Waste Form for Nuclear Fission Products: The Case of 90 Sr and Its Daughters. Environ Sci Technol. 49(22):13676-83.
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2015. Cement As a Waste Form for Nuclear Fission Products: The Case of 90Sr and Its Daughters. Environmental Science & Technology. 49(22):13676-13683.
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2016.