Advanced capabilities for materials modelling with Quantum ESPRESSO von Giannozzi, P, Andreussi, O, Brumme, T, Bunau, O, Buongiorno Nardelli, M, Calandra, M, Car, R, Cavazzoni, C, Ceresoli, D, Cococcioni, M, Colonna, N, Carnimeo, I, Dal Corso, A, de Gironcoli, S, Delugas, P, DiStasio, Jr, R A, Ferretti, A, Floris, A, Fratesi, G, Fugallo, G, Gebauer, R, Gerstmann, U, Giustino, F, Gorni, T, Jia, J, Kawamura, M, Ko, H-Y, Kokalj, A, Küçükbenli, E, Lazzeri, M, Marsili, M, Marzari, N, Mauri, F, Nguyen, N L, Nguyen, H-V, Otero-de-la-Roza, A, Paulatto, L, Poncé, S, Rocca, D, Sabatini, R, Santra, B, Schlipf, M, Seitsonen, A P, Smogunov, A, Timrov, I, Thonhauser, T, Umari, P, Vast, N, Wu, X, Baroni, S

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Identification of paramagnetic centers in irradiated Sn-doped silicon dioxide by first-principles von Giacomazzi, L, Martin-Samos, L, Richard, N, Ceresoli, D, Alessi, A

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Quantum states of muons in fluorides von Möller, J. S., Ceresoli, D., Lancaster, T., Marzari, N., Blundell, S. J.

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Playing quantum hide-and-seek with the muon: localizing muon stopping sites von Möller, J S, Bonfà, P, Ceresoli, D, Bernardini, F, Blundell, S J, Lancaster, T, De Renzi, R, Marzari, N, Watanabe, I, Sulaiman, S, Mohamed-Ibrahim, M I

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Two-membered silicon rings on the dehydroxylated surface of silica von Ceresoli, D, Bernasconi, M, Iarlori, S, Parrinello, M, Tosatti, E

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Peak effect versus skating in high-temperature nanofriction von Tosatti, E, Zykova-Timan, T, Ceresoli, D

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Why are alkali halide surfaces not wetted by their own melt? von ZYKOVA-TIMAN, T, CERESOLI, D, TARTAGLINO, U, TOSATTI, E

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Trapping of excitons at chemical defects in polyethylene von Ceresoli, D, Tosatti, E, Scandolo, S, Santoro, G, Serra, S

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Orbital magnetization in periodic insulators von THONHAUSER, T, CERESOLI, Davide, VANDERBILT, David, RESTA, R

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Dehydroxylation and Silanization of the Surfaces of β-Cristobalite Silica:  An ab Initio Simulation von Iarlori, S, Ceresoli, D, Bernasconi, M, Donadio, D, Parrinello, M

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Physics of solid and liquid alkali halide surfaces near the melting point von Zykova-Timan, T., Ceresoli, D., Tartaglino, U., Tosatti, E.

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Superexchange mechanism in M (II) formate dihydrate series and charge-density study of the Co(II) formate dihydrate von Grønbech, T.B.E., Krause, L., Ceresoli, D., Iversen, B.B.

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Effect of pressure on the energy band gaps of wurtzite GaN and AlN and electronic properties of their ternary alloys AlxGa1−xN von Oussaifi, Y., Said, A., Ben Fredj, A., Debbichi, L., Ceresoli, D., Said, M.

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Advanced capabilities for materials modelling with Quantum ESPRESSO von Giannozzi, P, Andreussi, O, Brumme, T, Bunau, O, Buongiorno Nardelli, M, Calandra, M, Car, R, Cavazzoni, C, Ceresoli, D, Cococcioni, M, Colonna, N, Carnimeo, I, Dal Corso, A, de Gironcoli, S, Delugas, P, DiStasio, R A, Ferretti, A, Floris, A, Fratesi, G, Fugallo, G, Gebauer, R, Gerstmann, U, Giustino, F, Gorni, T, Jia, J, Kawamura, M, Ko, H-Y, Kokalj, A, Küçükbenli, E, Lazzeri, M, Marsili, M, Marzari, N, Mauri, F, Nguyen, N L, Nguyen, H-V, Otero-de-la-Roza, A, Paulatto, L, Poncé, S, Rocca, D, Sabatini, R, Santra, B, Schlipf, M, Seitsonen, A P, Smogunov, A, Timrov, I, Thonhauser, T, Umari, P, Vast, N, Wu, X, Baroni, S

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Alkali halide surfaces near melting: Wetting and nanofriction properties von Ceresoli, D., Zykova-Timan, T., Tartaglino, U., Tosatti, E.

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Structural and dielectric properties of crystalline and amorphous ZrO2 von VANDERBILT, David, XINYUAN ZHAO, CERESOLI, Davide

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Exciton self-trapping in bulk polyethylene von Ceresoli, D, Righi, M C, Tosatti, E, Scandolo, S, Santoro, G, Serra, S

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Electron-stimulated emission of Na atoms from NaCl nanocube corners von Ceresoli, D., Zykova-Timan, T., Tosatti, E.

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Physics and nanofriction of alkali halide solid surfaces at the melting point von Zykova-Timan, T., Ceresoli, D., Tartaglino, U., Tosatti, E.

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NaCl nanodroplet on NaCl(1 0 0) at the melting point von Zykova-Timan, T., Tartaglino, U., Ceresoli, D., Sekkal-Zaoui, W., Tosatti, E.

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