Physics of Iron at Earth's Core Conditions von Laio, A., Bernard, S., Chiarotti, G. L., Scandolo, S., Tosatti, E.

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Superionic and Metallic States of Water and Ammonia at Giant Planet Conditions von Cavazzoni, C., Chiarotti, G. L., Scandolo, S., Tosatti, E., Bernasconi, M., Parrinello, M.

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Dissociation of Methane into Hydrocarbons at Extreme (Planetary) Pressure and Temperature von Ancilotto, F., Chiarotti, G. L., Scandolo, S., Tosatti, E.

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Pressure-induced solid carbonates from molecular CO2 by computer simulation von SERRA, S, CAVAZZONI, C, CHIAROTTI, G. L, SCANDOLO, S, TOSATTI, E

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Structural Phase Transformations via First-Principles Simulation von Focher, P, Chiarotti, G. L, Bernasconi, M, Tosatti, E, Parrinello, M

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First-principle-constant pressure molecular dynamics von Bernasconi, M., Chiarotti, G.L., Focher, P., Scandolo, S., Tosatti, E., Parrinello, M.

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Coexistence of Monatomic and Diatomic Molecular Fluid Character in Liquid Gallium von Gong, X. G, Chiarotti, G. L, Parrinello, M, Tosatti, E

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Elasticity and mechanical instabilities of diamond at megabar stresses: Implications for diamond-anvil-cell research von Zhao, Ji-Jun, Scandolo, S., Kohanoff, J., Chiarotti, G. L., Tosatti, E.

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A parallel and modular deformable cell Car–Parrinello code von Cavazzoni, Carlo, Chiarotti, Guido L.

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Solid-state self-wetting phenomena at the (001) surface of semimetallic α-Ga von Bernasconi, M., Chiarotti, G.L., Tosatti, E.

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Ab-initio simulation of phase transformations under pressure von Bernasconi, M, Benoit, M, Parrinello, M, Chiarotti, G L, Focher, P, Tosatti, E

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Hydrogen in crystalline and amorphous silicon: A first principles molecular dynamics study von Buda, F., Chiarotti, G.L., Car, R., Parrinello, M.

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Stability of Diamond at Megabar Pressures von Scandolo, S., Chiarotti, G. L., Tosatti, E.

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Dimerization of CO2 at High Pressure and Temperature von Tassone, Francesco, Chiarotti, Guido L., Rousseau, Roger, Scandolo, Sandro, Tosatti, Erio

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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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Pressure-induced solid carbonates from molecular CO2 by computer simulatio von Serra, S, Cavazzoni, C, chiarotti, G l, Scandolo, S, Tosatti, E

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Pressure-Induced Solid Carbonates from Molecular CO$_2$ by Computer Simulation von Serra, S., Cavazzoni, C., Chiarotti, G. L., Scandolo, S., Tosatti, E.

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Pressure-Induced Solid Carbonates from Molecular [CO.sub.2] by Computer Simulation von Serra, S, Cavazzoni, C, Chiarotti, G. L, Scandolo, S, Tosatti, E

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Non-molecular Carbon Dioxide (CO 2 ) Solids von Dong, Jianjun, Tomfohr, John K., Sankey, Otto F.

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Structural properties of amorphous hydrogenated silicon usingab initio molecular dynamics simulations von Gupte, Girish R, Prasad, R, Kumar, Vijay, Chiarotti, G L

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