Role of vacancies in metal–insulator transitions of crystalline phase-change materials von Zhang, W., Thiess, A., Zalden, P., Zeller, R., Dederichs, P. H., Raty, J-Y., Wuttig, M., Blügel, S., Mazzarello, R.

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X-ray Diffraction and Computation Yield the Structure of Alkanethiols on Gold(111) von Cossaro, A, Mazzarello, R, Rousseau, R, Casalis, L, Verdini, A, Kohlmeyer, A, Floreano, L, Scandolo, S, Morgante, A, Klein, M.L, Scoles, G

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Crystal growth of Ge2Sb2Te5 at high temperatures von Ronneberger, I., Zhang, W., Mazzarello, R.

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First-principles study of nitrogen doping in cubic and amorphous Ge2Sb2Te5 von Caravati, S, Colleoni, D, Mazzarello, R, Kühne, T D, Krack, M, Bernasconi, M, Parrinello, M

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Interfacial Electrostatics of Self-Assembled Monolayers of Alkane Thiolates on Au(111):  Work Function Modification and Molecular Level Alignments von Rousseau, R, De Renzi, V, Mazzarello, R, Marchetto, D, Biagi, R, Scandolo, S, del Pennino, U

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Aging mechanisms in amorphous phase-change materials von Raty, Jean Yves, Zhang, Wei, Luckas, Jennifer, Chen, Chao, Mazzarello, Riccardo, Bichara, Christophe, Wuttig, Matthias

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Ab initio study of Kr in hcp Ti: Diffusion, formation and stability of small Kr–vacancy clusters von Raji, A.T., Scandolo, S., Mazzarello, R., Nsengiyumva, S., Härting, M., Britton, D.T.

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Spin polarization transitions in the FQHE von Mariani, E., Mazzarello, R., Sassetti, M., Kramer, B.

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Solidification of hydrogen clusters including a foreign molecule von MAZZAREFLO, R, LEVI, A. C

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Solidification of hydrogen clusters von LEVI, A. C, MAZZARELLO, R

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First-principles study of nitrogen doping in cubic and amorphous Ge 2 Sb 2 Te 5 von Caravati, S, Colleoni, D, Mazzarello, R, Kühne, T D, Krack, M, Bernasconi, M, Parrinello, M

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First-principles study of nitrogen doping in cubic and amorphous Ge sub(2)Sb sub(2)Te sub(5) von Caravati, S, Colleoni, D, Mazzarello, R, Kuhne, T D, Krack, M, Bernasconi, M, Parrinello, M

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An Effective Pseudopotential for Modeling Gold Surface Slabs for Ab Initio Simulations von Rousseau, Roger, Mazzarello, Riccardo, Scandolo, Sandro

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Defect-Induced Magnetism in Graphene: An Ab Initio Study von Pidatella, A., Mazzarello, R.

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Discovering electron transfer driven changes in chemical bonding in lead chalcogenides (PbX, where X = Te, Se, S, O) von Maier, S, Steinberg, S, Cheng, Y, Schön, Carl-Friedrich, Schumacher, M, Mazzarello, R, Golub, P, Nelson, R, Cojocaru-Mirédin, O, Raty, J. -Y, Wuttig, M

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Spin polarization transitions in the FQHE von Mariani, E., Mazzarello, R., Sassetti, M., Kramer, B.

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Connection Between Magnetism and Structure in Fe Double Chains on the Ir(100) Surface von Mazzarello, R, Tosatti, E

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Discovering electron transfer driven changes in chemical bonding in lead chalcogenides (PbX, where X = Te, Se, S, O) von Maier, S, Steinberg, S, Cheng, Y, Carl-Friedrich Schön, Schumacher, M, Mazzarello, R, Golub, P, Nelson, R, Cojocaru-Mirédin, O, J -Y Raty, Wuttig, M

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Wave function mapping in graphene quantum dots with soft confinement von Subramaniam, D, Libisch, F, Y Li, Pauly, C, Geringer, V, Reiter, R, Mashoff, T, Liebmann, M, Burgdoerfer, J, Busse, C, Michely, T, Mazzarello, R, Pratzer, M, Morgenstern, M

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Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials von Giannozzi, P, Baroni, S, Bonini, N, Calandra, M, Car, R, Cavazzoni, C, Ceresoli, D, Chiarotti, G L, Cococcioni, m, Dabo, I, A Dal Corso, Fabris, S, Fratesi, G, de Gironcoli, S, Gebauer, R, Gerstmann, U, Gougoussis, C, Kokalj, A, Lazzeri, M, Martin-Samos, L, Marzari, N, Mauri, F, Mazzarello, R, Paolini, S, Pasquarello, A, Paulatto, L, Sbraccia, C, Scandolo, S, Sclauzero, G, Seitsonen, A P, Smogunov, A, Umari, P, Wentzcovitch, R M

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