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2016
R. Requist, Baruselli, P. P., Smogunov, A., Fabrizio, M., Modesti, S., and Tosatti, E., “Metallic, magnetic and molecular nanocontacts”, Nature Nanotechnology, vol. 11, pp. 499-508, 2016.
D. Curcio, Omiciuolo, L., Pozzo, M., Lacovig, P., Lizzit, S., Jabeen, N., Petaccia, L., Alfe, D., and Baraldi, A., “Molecular Lifting, Twisting, and Curling during Metal-Assisted Polycyclic Hydrocarbon Dehydrogenation”, Journal of the American Chemical Society, vol. 138, pp. 3395-3402, 2016.
I. Bisha and Magistrato, A., “The molecular mechanism of secondary sodium symporters elucidated through the lens of the computational microscope”, RSC Advances, vol. 6, pp. 9522-9540, 2016.
P. Borghetti, De Oteyza, D. G., Rogero, C., Goiri, E., Verdini, A., Cossaro, A., Floreano, L., and Ortega, J. E., “Molecular-Level Realignment in Donor-Acceptor Bilayer Blends on Metals”, Journal of Physical Chemistry C, vol. 120, pp. 5997-6005, 2016.
M. Papagno, Eremeev, S. V., Fujii, J., Aliev, Z. S., Babanly, M. B., Mahatha, S. K., Vobornik, I., Mamedov, N. T., Pacilè, D., and Chulkov, E. V., “Multiple Coexisting Dirac Surface States in Three-Dimensional Topological Insulator PbBi6Te10”, ACS Nano, vol. 10, pp. 3518-3524, 2016.
E. Albisetti, Petti, D., Pancaldi, M., Madami, M., Tacchi, S., Curtis, J., King, W. P., Papp, A., Csaba, G., Porod, W., Vavassori, P., Riedo, E., and Bertacco, R., “Nanopatterning reconfigurable magnetic landscapes via thermally assisted scanning probe lithography”, Nature Nanotechnology, vol. 11, pp. 545-551, 2016.
T. Baran, Fracchia, M., Vertova, A., Achilli, E., Naldoni, A., Malara, F., Rossi, G., Rondinini, S., Ghigna, P., Minguzzi, A., and D'Acapito, F., “Operando and Time-Resolved X-Ray Absorption Spectroscopy for the Study of Photoelectrode Architectures”, Electrochimica Acta, vol. 207, pp. 16-21, 2016.
A. Martinelli, Bernardini, F., and Massidda, S., “The phase diagrams of iron-based superconductors: Theory and experiments”, Comptes Rendus Physique, vol. 17, pp. 5-35, 2016.
C. Cancellieri, Mishchenko, A. S., Aschauer, U., Filippetti, A., Faber, C., Bariši, O. S., Rogalev, V. A., Schmitt, T., Nagaosa, N., and Strocov, V. N., “Polaronic metal state at the LaAlO 3 /SrTiO 3 interface”, Nature Communications, vol. 7, 2016.
L. Lepori, Fulga, I. C., Trombettoni, A., and Burrello, M., “PT -invariant Weyl semimetals in gauge-symmetric systems”, Physical Review B - Condensed Matter and Materials Physics, vol. 94, 2016.
F. Ciccullo, Calzolari, A., Pis, I., Savu, S. - A., Krieg, M., Bettinger, H. F., Magnano, E., Chassé, T., and Casu, M. B., “A Quasi-Free-Standing Single Layer of a B3N3-Doped Nanographene Molecule Deposited on Au(111) Single Crystals”, Journal of Physical Chemistry C, vol. 120, pp. 17645-17651, 2016.
K. Lejaeghere, Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., de Gironcoli, S., Deutsch, T., Dewhurst, J. K., Di Marco, I., Draxl, C., Dułak, M., Eriksson, O., Flores-Livas, J. A., Garrity, K. F., Genovese, L., Giannozzi, P., Giantomassi, M., Goedecker, S., Gonze, X., Grånäs, O., Gross, E. K. U., Gulans, A., Gygi, F., Hamann, D. R., Hasnip, P. J., Holzwarth, N. A. W., Iuşan, D., Jochym, D. B., Jollet, F., Jones, D., Kresse, G., Koepernik, K., Küçükbenli, E., Kvashnin, Y. O., Locht, I. L. M., Lubeck, S., Marsman, M., Marzari, N., Nitzsche, U., Nordström, L., Ozaki, T., Paulatto, L., Pickard, C. J., Poelmans, W., Probert, M. I. J., Refson, K., Richter, M., Rignanese, G. - M., Saha, S., Scheffler, M., Schlipf, M., Schwarz, K., Sharma, S., Tavazza, F., Thunström, P., Tkatchenko, A., Torrent, M., Vanderbilt, D., Van Setten, M. J., Van Speybroeck, V., Wills, J. M., Yates, J. R., Zhang, G. - X., and Cottenier, S., “Reproducibility in density functional theory calculations of solids”, Science, vol. 351, 2016.
K. Lejaeghere, Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., de Gironcoli, S., Deutsch, T., Dewhurst, J. K., Di Marco, I., Draxl, C., Dułak, M., Eriksson, O., Flores-Livas, J. A., Garrity, K. F., Genovese, L., Giannozzi, P., Giantomassi, M., Goedecker, S., Gonze, X., Grånäs, O., Gross, E. K. U., Gulans, A., Gygi, F., Hamann, D. R., Hasnip, P. J., Holzwarth, N. A. W., Iuşan, D., Jochym, D. B., Jollet, F., Jones, D., Kresse, G., Koepernik, K., Küçükbenli, E., Kvashnin, Y. O., Locht, I. L. M., Lubeck, S., Marsman, M., Marzari, N., Nitzsche, U., Nordström, L., Ozaki, T., Paulatto, L., Pickard, C. J., Poelmans, W., Probert, M. I. J., Refson, K., Richter, M., Rignanese, G. - M., Saha, S., Scheffler, M., Schlipf, M., Schwarz, K., Sharma, S., Tavazza, F., Thunström, P., Tkatchenko, A., Torrent, M., Vanderbilt, D., Van Setten, M. J., Van Speybroeck, V., Wills, J. M., Yates, J. R., Zhang, G. - X., and Cottenier, S., “Reproducibility in density functional theory calculations of solids”, Science, vol. 351, 2016.
K. Lejaeghere, Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., de Gironcoli, S., Deutsch, T., Dewhurst, J. K., Di Marco, I., Draxl, C., Dułak, M., Eriksson, O., Flores-Livas, J. A., Garrity, K. F., Genovese, L., Giannozzi, P., Giantomassi, M., Goedecker, S., Gonze, X., Grånäs, O., Gross, E. K. U., Gulans, A., Gygi, F., Hamann, D. R., Hasnip, P. J., Holzwarth, N. A. W., Iuşan, D., Jochym, D. B., Jollet, F., Jones, D., Kresse, G., Koepernik, K., Küçükbenli, E., Kvashnin, Y. O., Locht, I. L. M., Lubeck, S., Marsman, M., Marzari, N., Nitzsche, U., Nordström, L., Ozaki, T., Paulatto, L., Pickard, C. J., Poelmans, W., Probert, M. I. J., Refson, K., Richter, M., Rignanese, G. - M., Saha, S., Scheffler, M., Schlipf, M., Schwarz, K., Sharma, S., Tavazza, F., Thunström, P., Tkatchenko, A., Torrent, M., Vanderbilt, D., Van Setten, M. J., Van Speybroeck, V., Wills, J. M., Yates, J. R., Zhang, G. - X., and Cottenier, S., “Reproducibility in density functional theory calculations of solids”, Science, vol. 351, 2016.
K. Lejaeghere, Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., de Gironcoli, S., Deutsch, T., Dewhurst, J. K., Di Marco, I., Draxl, C., Dułak, M., Eriksson, O., Flores-Livas, J. A., Garrity, K. F., Genovese, L., Giannozzi, P., Giantomassi, M., Goedecker, S., Gonze, X., Grånäs, O., Gross, E. K. U., Gulans, A., Gygi, F., Hamann, D. R., Hasnip, P. J., Holzwarth, N. A. W., Iuşan, D., Jochym, D. B., Jollet, F., Jones, D., Kresse, G., Koepernik, K., Küçükbenli, E., Kvashnin, Y. O., Locht, I. L. M., Lubeck, S., Marsman, M., Marzari, N., Nitzsche, U., Nordström, L., Ozaki, T., Paulatto, L., Pickard, C. J., Poelmans, W., Probert, M. I. J., Refson, K., Richter, M., Rignanese, G. - M., Saha, S., Scheffler, M., Schlipf, M., Schwarz, K., Sharma, S., Tavazza, F., Thunström, P., Tkatchenko, A., Torrent, M., Vanderbilt, D., Van Setten, M. J., Van Speybroeck, V., Wills, J. M., Yates, J. R., Zhang, G. - X., and Cottenier, S., “Reproducibility in density functional theory calculations of solids”, Science, vol. 351, 2016.
K. Lejaeghere, Bihlmayer, G., Björkman, T., Blaha, P., Blügel, S., Blum, V., Caliste, D., Castelli, I. E., Clark, S. J., Dal Corso, A., de Gironcoli, S., Deutsch, T., Dewhurst, J. K., Di Marco, I., Draxl, C., Dułak, M., Eriksson, O., Flores-Livas, J. A., Garrity, K. F., Genovese, L., Giannozzi, P., Giantomassi, M., Goedecker, S., Gonze, X., Grånäs, O., Gross, E. K. U., Gulans, A., Gygi, F., Hamann, D. R., Hasnip, P. J., Holzwarth, N. A. W., Iuşan, D., Jochym, D. B., Jollet, F., Jones, D., Kresse, G., Koepernik, K., Küçükbenli, E., Kvashnin, Y. O., Locht, I. L. M., Lubeck, S., Marsman, M., Marzari, N., Nitzsche, U., Nordström, L., Ozaki, T., Paulatto, L., Pickard, C. J., Poelmans, W., Probert, M. I. J., Refson, K., Richter, M., Rignanese, G. - M., Saha, S., Scheffler, M., Schlipf, M., Schwarz, K., Sharma, S., Tavazza, F., Thunström, P., Tkatchenko, A., Torrent, M., Vanderbilt, D., Van Setten, M. J., Van Speybroeck, V., Wills, J. M., Yates, J. R., Zhang, G. - X., and Cottenier, S., “Reproducibility in density functional theory calculations of solids”, Science, vol. 351, 2016.
A. Regoutz, Gupta, I., Serb, A., Khiat, A., Borgatti, F., Lee, T. - L., Schlueter, C., Torelli, P., Gobaut, B., Light, M., Carta, D., Pearce, S., Panaccione, G., and Prodromakis, T., “Role and Optimization of the Active Oxide Layer in TiO2-Based RRAM”, Advanced Functional Materials, vol. 26, pp. 507-513, 2016.
F. D'Acapito, Souchier, E., Noé, P., Blaise, P., Bernard, M., and Jousseaume, V., “Role of Sb dopant in Ag:GeSx-based conducting bridge random access memories”, Physica Status Solidi (A) Applications and Materials Science, vol. 213, pp. 311-315, 2016.
F. D'Acapito, Souchier, E., Noé, P., Blaise, P., Bernard, M., and Jousseaume, V., “Role of Sb dopant in Ag:GeSx-based conducting bridge random access memories”, Physica Status Solidi (A) Applications and Materials Science, vol. 213, pp. 311-315, 2016.
S. Hussain, Pozzato, A., Tormen, M., Zannier, V., and Biasiol, G., “Site-control of InAs/GaAs quantum dots with indium-assisted deoxidation”, Materials, vol. 9, 2016.
J. Stigloher, Decker, M., Körner, H. S., Tanabe, K., Moriyama, T., Taniguchi, T., Hata, H., Madami, M., Gubbiotti, G., Kobayashi, K., Ono, T., and Back, C. H., “Snell's Law for Spin Waves”, Physical Review Letters, vol. 117, 2016.
Y. Iqbal, Hu, W. - J., Thomale, R., Poilblanc, D., and Becca, F., “Spin liquid nature in the Heisenberg J1-J2 triangular antiferromagnet”, Physical Review B - Condensed Matter and Materials Physics, vol. 93, 2016.
R. Kaneko, Tocchio, L. F., Valentí, R., Becca, F., and Gros, C., “Spontaneous symmetry breaking in correlated wave functions”, Physical Review B - Condensed Matter and Materials Physics, vol. 93, 2016.
D. G. Giustina, Sonato, A., Gazzola, E., Ruffato, G., Brusa, S., and Romanato, F., “SPR Enhanced molecular imprinted sol-gel film: A promising tool for gas-phase TNT detection”, Materials Letters, vol. 162, pp. 44-47, 2016.
S. Baldanza, Ardini, J., Giglia, A., and Held, G., “Stereochemistry and thermal stability of tartaric acid on the intrinsically chiral Cu531 surface”, Surface Science, vol. 643, pp. 108-116, 2016.

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