MELONI, Simone

MELONI, Simone  

Dipartimento di Scienze chimiche, farmaceutiche ed agrarie  

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Titolo Data di pubblicazione Autore(i) File
A novel implicit Newton-Raphson geometry optimization method for density functional theory calculations 2001 Filippone, Francesco; Meloni, Simone; Parrinello, Michele file con accesso da definire
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; G., Ciccotti; Rosei, R file con accesso da definire
Accuracy of Molecular Simulation-Based Predictions of koffValues: A Metadynamics Study 2020 Capelli, R.; Lyu, W.; Bolnykh, V.; Meloni, S.; Olsen, J. M. H.; Rothlisberger, U.; Parrinello, M....; Carloni, P.
Activated wetting of nanostructured surfaces: reaction coordinates, finite size effects, and simulation pitfalls 2018 Amabili, M.; Meloni, S.; Giacomello, A.; Casciola, C. M.
ADRENALINE - hAliDe peRovskites sEqueNtiAL deposItioN mEchanism (by ab initio 2018 Meloni, Simone file con accesso da definire
An observable for vacancy characterization and diffusion in crystals 2013 Geslin, Pa; Ciccotti, G; Meloni, S file con accesso da definire
Atomistic origins of the limited phase stability of Cs+-rich FAxCs(1-x)PbI3 mixtures 2020 Boziki, Ariadni; Kubicki, Dominik J.; Mishra, Aditya; Meloni, Simone; Emsley, Lyndon; Grätzel, Mi...chael; Rothlisberger, Ursula
Atomistic structure of amorphous silicon nitride from classical molecular dynamics simulations 2011 Ippolito, Mariella; Meloni, Simone file con accesso da definire
Boron ripening in amorphous silicon by large scale molecular dynamics simulations 2004 Mattoni, A.; Colombo, L.; Meloni, S.; Federico, A.; Rosati, M. file con accesso da definire
Calculations of free energy barriers for local mechanisms of hydrogen diffusion in alanates 2009 Monteferrante, M; Bonella, S; Meloni, S; Vanden Eijnden, E; Ciccotti, G
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
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; Massimo Casciola, Carlo file con accesso da definire
Chemistry between magnesium and multiple molecules in tris(8-hydroxyquinoline) aluminum films 2003 Meloni, Simone; Palma, Amedeo; Schwartz, Jeffrey; Kahn, Antoine; Car, Roberto file con accesso da definire
Classical nucleation of vapor between hydrophobic plates 2023 Tinti, Antonio; Giacomello, Alberto; Meloni, Simone; Casciola, Carlo Massimo file con accesso da definire
Clathrate structure-type recognition: Application to hydrate nucleation and crystallisation 2015 Lauricella, M; Meloni, S; Liang, S; English, Nj; Kusalik, Pg; Ciccotti, G file con accesso da definire
Collapse of superhydrophobicity on nanopillared surfaces 2017 Amabili, Matteo; Giacomello, Alberto; Meloni, Simone; Casciola, Carlo Massimo file con accesso da definire
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 file con accesso da definire
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; R...othlisberger, Ursula file con accesso da definire
Computational Materials Science application programming interface (CMSapi): a tool for developing applications for atomistic simulations 2005 Meloni, S; Rosati, M; Federico, A; Ferraro, L; Mattoni, A; Colombo, L file con accesso da definire