PARSEC - the pseudopotential algorithm for real-space electronic structure calculations: recent advances and novel applications to nano-structures von Kronik, Leeor, Makmal, Adi, Tiago, Murilo L., Alemany, M. M. G., Jain, Manish, Huang, Xiangyang, Saad, Yousef, Chelikowsky, James R.

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Evolution of magnetism in iron from the atom to the bulk von Tiago, Murilo L, Zhou, Yunkai, Alemany, M M G, Saad, Yousef, Chelikowsky, James R

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Real space pseudopotential calculations for copper clusters von Li, Shen, Alemany, M. M. G., Chelikowsky, James R.

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Engineering the magnetic structure of Fe clusters by Mn alloying von Longo, R C, Alemany, M M G, Vega, A, Ferrer, J, Gallego, L J

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Electronic properties of pure and p-type doped hexagonal sheets and zigzag nanoribbons of InP von Longo, R C, Carrete, J, Alemany, M M G, Gallego, L J

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Computational studies of doped nanostructures von Chelikowsky, James R, Alemany, M M G, Chan, T-L, Dalpian, G M

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Ab initio study of intrinsic profiles of liquid metals and their reflectivity von del Rio, B. G., Souto, J., Alemany, M. M. G., González, L. E.

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Static structure, microscopic dynamics and electronic properties of the liquid Bi–Pb alloy. An ab initio molecular dynamics study von Souto, J., Alemany, M.M.G., Gallego, L.J., González, L.E., González, D.J.

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Static structure, collective dynamics and transport coefficients in the liquid Li-Pb alloy. An ab initio molecular dynamics study von Alemany, M.M.G., Souto-Casares, Jaime, González, Luis E., González, David J.

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A density-functional study of the possibility of noncollinear magnetism in small Mn clusters using SIESTA and the generalized gradient approximation to exchange and correlation von Longo, R C, Alemany, M M G, Ferrer, J, Vega, A, Gallego, L J

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Static structure, microscopic dynamics and electronic properties of the liquid Bi-Li alloy. An ab initio molecular dynamics study von Souto, J, Alemany, M M G, Gallego, L J, González, L E, González, D J

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Kohn-Sham ab initio molecular dynamics study of liquid Al near melting von ALEMANY, M. M. G, GALLEGO, L. J, GONZALEZ, David J

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Ab initio calculations for p-type doped bulk indium phosphide von Alemany, M.M.G., Huang, Xiangyang, Tiago, Murilo L., Gallego, L.J., Chelikowsky, James R.

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The Role of Quantum Confinement in p-Type Doped Indium Phosphide Nanowires von Alemany, M. M. G, Huang, Xiangyang, Tiago, Murilo L, Gallego, L. J, Chelikowsky, James R

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Ab initio calculations for the photoelectron spectra of vanadium clusters von Li, Shen, Alemany, M M G, Chelikowsky, James R

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Ab initio calculations of the photoelectron spectra of transition metal clusters von SHEN LI, ALEMANY, M. M. G, CHELIKOWSKY, James R

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Viscosities of liquid CdTe near melting point from ab initio molecular-dynamics calculations von Ko, Eunjung, Alemany, M M G, Chelikowsky, James R

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Self-consistent density-functional calculations of the geometries, electronic structures, and magnetic moments of Ni-Al clusters von Calleja, M., Rey, C., Alemany, M. M. G., Gallego, L. J., Ordejón, P., Sánchez-Portal, D., Artacho, E., Soler, J. M.

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First-principles molecular dynamics of liquid rubidium at low density von Alemany, M.M.G., Martins, José Luís, Cabral, B.J. Costa

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Comment on “Ground-state geometry of small Ni-C clusters” von Longo, R. C., Alemany, M. M. G., Fernández, B., Gallego, L. J.

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