MELONI, Simone
MELONI, Simone
DIPARTIMENTO DI INGEGNERIA MECCANICA E AEROSPAZIALE
A novel implicit Newton-Raphson geometry optimization method for density functional theory calculations
2001 Filippone, Francesco; Meloni, Simone; Parrinello, Michele
Ab initio simulation of carbon clustering on an Ni(111) surface: A model of the poisoning of nickel-based catalysts
2006 Kalibaeva, G; Vuilleumier, R; Meloni, S; Alavi, A; Ciccotti, G.; Rosei, R
AB-INITIO MOLECULAR DYNAMICS INVESTIGATION OF STRUCTURAL PROPERTIES AND WATER DYNAMICS OF CALCIUM SULFATE SUB-HYDRATES.
2000 Meloni, Simone; Ballirano, Paolo; Caminiti, Ruggero
Activated wetting of nanostructured surfaces: reaction coordinates, finite size effects, and simulation pitfalls
2018 Amabili, M.; Meloni, S.; Giacomello, A.; Casciola, C. M.
An Energy Dispersive X-ray Diffractometer
2000 Caminiti, Ruggero; Bencivenni, Luigi; A., Isopo; Meloni, Simone; A., Pieretti; Sadun, Claudia; V., ROSSI ALBERTINI
An observable for vacancy characterization and diffusion in crystals
2013 Pierre Antoine, Geslin; Ciccotti, Giovanni; Meloni, Simone
Atomistic structure of amorphous silicon nitride from classical molecular dynamics simulations
2011 Ippolito, Mariella; Meloni, Simone
Boron ripening in amorphous silicon by large scale molecular dynamics simulations
2004 Mattoni, A.; Colombo, L.; Meloni, S.; Federico, A.; Rosati, M.
Calculations of free energy barriers for local mechanisms of hydrogen diffusion in alanates
2008 Monteferrante, Michele; Bonella, Sara; Meloni, Simone; E., VANDEN EIJNDEN; Ciccotti, Giovanni
Calculations of free energy barriers for local mechanisms of hydrogen diffusion in alanates
2009 Monteferrante, Michele; Bonella, Sara; Meloni, Simone; Vanden-eijnden, Eric; Ciccotti, Giovanni
Cassie-Baxter and Wenzel States on a Nanostructured Surface: Phase Diagram, Metastabilities, and Transition Mechanism by Atomistic Free Energy Calculations
2012 Giacomello, Alberto; Meloni, Simone; Chinappi, Mauro; Casciola, Carlo Massimo
Chemistry between magnesium and multiple molecules in tris(8-hydroxyquinoline) aluminum films
2003 Meloni, Simone; Palma, Amedeo; Schwartz, Jeffrey; Kahn, Antoine; Car, Roberto
Classical nucleation of vapor between hydrophobic plates
2023 Tinti, Antonio; Giacomello, Alberto; Meloni, Simone; Casciola, Carlo Massimo
Collapse of superhydrophobicity on nanopillared surfaces
2017 Amabili, Matteo; Giacomello, Alberto; Meloni, Simone; Casciola, Carlo Massimo
Collective molecular mechanisms in the CH3NH3PbI3 dissolution by liquid water
2017 Caddeo, Claudia; Saba, Maria Ilenia; Meloni, Simone; Filippetti, Alessio; Mattoni, Alessandro
Combining Rare Events Techniques: Phase Change in Si Nanoparticles
2011 Orlandini, Sergio; Meloni, Simone; Ciccotti, Giovanni
COMPARISON OF MOLECULAR DYNAMICS AND X-RAY POWDER DIFFRACTION DATA IN SYSTEMS INVOLVING WEAKLY BOUND GUEST MOLECULES: THE CASO4 X 0.5H20 EXAMPLE
2000 Meloni, Simone; Ballirano, Paolo; Caminiti, Ruggero
Computational characterization of the dependence of halide perovskite effective masses on chemical composition and structure
2017 Ashari-astani, Negar; Meloni, Simone; Salavati, Amir Hesam; Palermo, Giulia; Grã¤tzel, Michael; Rothlisberger, Ursula
Computational Materials Science application programming interface (CMSapi): A tool for developing applications for atomistic simulations
2005 Meloni, Simone; Rosati, Mario; Federico, Alessandro; Ferraro, Luca; Mattoni, Alessandro; Colombo, Luciano
Dissociative versus molecular adsorption of phenol on Si(100)2x1: A first-principles calculation
2007 Carbone, M; Meloni, Simone; Caminiti, Ruggero