IRIS

GIANNOZZI, Paolo

GIANNOZZI, Paolo  

DMIF - DIPARTIMENTO DI SCIENZE MATEMATICHE, INFORMATICHE E FISICHE  

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13-ATOM CLUSTERS - EQUILIBRIUM GEOMETRIES, STRUCTURAL TRANSFORMATIONS, AND TRENDS IN NA, MG, AL, AND SI 1-gen-1992 Rothlisberger, U; Andreoni, W; Giannozzi, Paolo
1ST PRINCIPLES CALCULATIONS OF HYDROGEN IN BULK GAAS 1-gen-1991 Pavesi, L; Giannozzi, Paolo
2ND-ORDER RAMAN-SPECTRA OF DIAMOND FROM AB-INITIO PHONON CALCULATIONS 1-gen-1993 Windl, W; Pavone, P; Karch, K; Schutt, O; Strauch, D; Giannozzi, Paolo; Baroni, S.
A FIRST-PRINCIPLES DERIVED PARAMETRIZATION FOR THE ADIABATIC BOND CHARGE MODEL 1-gen-1995 Colombo, L; Giannozzi, Paolo
A Performance Study of Quantum ESPRESSO’s PWscf Code on Multi-core and GPU Systems 1-gen-2018 Romero, Joshua; Phillips, Everett; Ruetsch, Gregory; Fatica, Massimiliano; Spiga, Filippo; Giannozzi, Paolo
A study of Zn induced structural aggregation patterns of beta-amyloid peptides by ab-initio simulations and XAS measurements 1-gen-2012 Giannozzi, Paolo; K., Jansen; G., La Penna; V., Minicozzi; S., Morante; G. C., Rossi; F., Stellato
Ab initio theoretical investigation of Phthalocyanine-Semiconductor hybrid systems 1-gen-2009 G., Mattioli; F., Filippone; Giannozzi, Paolo; R., Caminiti; A., AMORE BONAPASTA
AB-INITIO LATTICE-DYNAMICS OF DIAMOND 1-gen-1993 Pavone, P; Karch, K; Schutt, O; Windl, W; Strauch, D; Giannozzi, Paolo; Baroni, S.
Ab-initio molecular dynamics study of amorphous CdTeOx alloys: structural properties 1-gen-2009 E., MENENDEZ PROUPIN; Giannozzi, Paolo; J., Peralta; G., Gutierrez
ABINITIO CALCULATION OF PHONON DISPERSIONS IN SEMICONDUCTORS 1-gen-1991 Giannozzi, Paolo; DE GIRONCOLI, S; Pavone, P; Baroni, S.
ABSENCE OF METAL-CLUSTERS AND APPEARANCE OF NEW ELECTRON-STATES IN NA6C60 1-gen-1994 Andreoni, W; Giannozzi, Paolo; Parrinello, M.
Adsorption of pairs of NOx molecules on single-wall carbon nanotubes and formation of NO+NO3 from NO2, 1-gen-2009 J., Dai; Giannozzi, Paolo; J., Yuan
Advanced capabilities for materials modelling with Quantum ESPRESSO 1-gen-2017 Giannozzi, P; Andreussi, O; Brumme, T; Bunau, O; Buongiorno Nardelli, M; Calandra, M; Car, R; Cavazzoni, C; Ceresoli, D; Cococcioni, M; Colonna, N; Carnimeo, Ivan; 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.
AMPHOTERIC BEHAVIOR OF H0 IN GAAS 1-gen-1990 Pavesi, L; Giannozzi, Paolo; Reinhart, Fk
Anomalous electronic behaviour of Na superfullerides: Theory and experiment 1-gen-1996 Andreoni, W; Giannozzi, Paolo; Armbruster, Jf; Knupfer, M; Fink, J.
ATOMIC AND MOLECULAR-HYDROGEN IN GALLIUM-ARSENIDE - A THEORETICAL-STUDY 1-gen-1992 Pavesi, L; Giannozzi, Paolo
C61H2 IN MOLECULAR AND SOLID-PHASES - DENSITY-FUNCTIONAL APPROACH TO STRUCTURAL AND ELECTRONIC-PROPERTIES 1-gen-1995 Curioni, A; Giannozzi, Paolo; Hutter, J; Andreoni, W.
Calculation of Near-Edge X-Ray Absorption Fine Structure at Finite Temperatures: Spectral Signatures of Hydrogen Bond Breaking in Liquid Water 1-gen-2004 Hetényi, B; DE ANGELIS, F; Giannozzi, Paolo; Car, R.
Calculation of Phonon Dispersions on the GRID using Quantum ESPRESSO 1-gen-2009 R., DI MEO; A., DAL CORSO; Giannozzi, Paolo; S., Cozzini
Carbonyl group generation on single-wall carbon nanotubes with nitric acid: A theoretical description 1-gen-2013 Antônio, M. Da Silva J. r.; Hélio F., Dos Santos; Giannozzi, Paolo