Giuliana Materzanini

Liu, Chang ; Materzanini, Giuliana ; Rignanese, Gian-Marco ; Ren, Wei. Ferroelectricity, triple-well potential, and negative piezoelectricity in the antiperovskite γ-Ag3SI. In: Physical Review B, Vol. 110, no.18, p. 184109 (2024). doi:10.1103/PhysRevB.110.184109.

http://hdl.handle.net/2078.1/295030

Yu, Haochen ; Giantomassi, Matteo ; Materzanini, Giuliana ; Wang, Junjie ; Rignanese, Gian-Marco. Systematic assessment of various universal machine‐learning interatomic potentials. In: Materials Genome Engineering Advances, Vol. 2, no.3, p. 1-12 (2024). doi:10.1002/mgea.58.

http://hdl.handle.net/2078.1/292601

Materzanini, Giuliana ; Chiarotti, Tommaso ; Marzari, Nicola. Solids that are also liquids: elastic tensors of superionic materials. In: npj Computational Materials, Vol. 9, no.1 (2023). doi:10.1038/s41524-022-00948-8 (Soumis).

http://hdl.handle.net/2078/283115

Materzanini, Giuliana ; Kahle, Leonid ; Marcolongo, Aris ; Marzari, Nicola. High Li-ion conductivity in tetragonal LGPO: A comparative first-principles study against known LISICON and LGPS phases. In: Physical Review Materials, Vol. 5, no.3 (2021). doi:10.1103/physrevmaterials.5.035408 (Soumis).

http://hdl.handle.net/2078/283114

Gilardi, E. ; Materzanini, Giuliana ; Kahle, L. ; Döbeli, M. ; Lacey, S. ; Cheng, X. ; Marzari, N. ; Pergolesi, D. ; Hintennach, A. ; Lippert, T.. Li4–xGe1–xPxO4, a Potential Solid-State Electrolyte for All-Oxide Microbatteries. In: ACS Applied Energy Materials, Vol. 3, no.10, p. 9910-9917 (2020). doi:10.1021/acsaem.0c01601 (Soumis).

http://hdl.handle.net/2078/283113

Lanzani, Giorgio ; Martinazzo, Rocco ; Materzanini, Giuliana ; Pino, Ilaria ; Tantardini, Gian Franco. Chemistry at surfaces: from ab initio structures to quantum dynamics. In: Theoretical Chemistry Accounts, Vol. 117, no.5-6, p. 805-825 (2007). doi:10.1007/s00214-006-0201-6 (Soumis).

http://hdl.handle.net/2078/283111

Materzanini, Giuliana ; Tantardini, Gian Franco ; Lindan, Philip J. D. ; Saalfrank, Peter. Water adsorption at metal surfaces: A first-principles study of the p(sqrt(3)x sqrt(3))R30° H2O bilayer on Ru(0001). In: Physical review. B, Condensed matter and materials physics, Vol. 71 (2005).

http://hdl.handle.net/2078/283124

Materzanini, Giuliana ; Saalfrank, Peter ; Lindan, Philip J. D.. Quantum size effects in metal films: Energies and charge densities of Pb (111) grown on Cu (111). In: Physical review. B, Condensed matter and materials physics, Vol. 63 (2001).

http://hdl.handle.net/2078/283109

Gianturco, Franco Antonio ; Materzanini, Giuliana. Semiclassical collision dynamics with multiple potential surfaces: The H ( 1 2 S ) + N + 2 example. In: Physical review. A, Atomic, molecular, and optical physics, Vol. 60, no. 2, p. 1165-1178 (1999).

http://hdl.handle.net/2078/283122

Gianturco, F.A. ; Materzanini, Giuliana. Nonadiabatic fragmentation of excited molecular ions: An exploratory study for $\sf N_{2}H^{+}$. In: The European Physical Journal D - Atomic, Molecular and Optical Physics, Vol. 4, no.3, p. 321-330 (1998). doi:10.1007/s100530050215 (Soumis).

http://hdl.handle.net/2078/283116