MELONI, Simone
MELONI, Simone
Dipartimento di Scienze chimiche, farmaceutiche ed agrarie
A novel implicit Newton-Raphson geometry optimization method for density functional theory calculations
file con accesso da definire2001 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
file con accesso da definire2006 Kalibaeva, G; Vuilleumier, R; Meloni, S; Alavi, A; G., Ciccotti; Rosei, R
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
file con accesso da definire2018 Meloni, Simone
An observable for vacancy characterization and diffusion in crystals
file con accesso da definire2013 Geslin, Pa; Ciccotti, G; Meloni, S
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, Michael; Rothlisberger, Ursula
Atomistic structure of amorphous silicon nitride from classical molecular dynamics simulations
file con accesso da definire2011 Ippolito, Mariella; Meloni, Simone
Boron ripening in amorphous silicon by large scale molecular dynamics simulations
file con accesso da definire2004 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, M; Bonella, S; Meloni, S; Vanden Eijnden, E; Ciccotti, G
Cassie-Baxter and Wenzel States on a Nanostructured Surface: Phase Diagram, Metastabilities, and Transition Mechanism by Atomistic Free Energy Calculations
file con accesso da definire2012 Giacomello, Alberto; Meloni, Simone; Chinappi, Mauro; Massimo Casciola, Carlo
Chemistry between magnesium and multiple molecules in tris(8-hydroxyquinoline) aluminum films
file con accesso da definire2003 Meloni, Simone; Palma, Amedeo; Schwartz, Jeffrey; Kahn, Antoine; Car, Roberto
Classical nucleation of vapor between hydrophobic plates
file con accesso da definire2023 Tinti, Antonio; Giacomello, Alberto; Meloni, Simone; Casciola, Carlo Massimo
Clathrate structure-type recognition: Application to hydrate nucleation and crystallisation
file con accesso da definire2015 Lauricella, M; Meloni, S; Liang, S; English, Nj; Kusalik, Pg; Ciccotti, G
Collapse of superhydrophobicity on nanopillared surfaces
file con accesso da definire2017 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
file con accesso da definire2011 Orlandini, Sergio; Meloni, Simone; Ciccotti, Giovanni
Computational characterization of the dependence of halide perovskite effective masses on chemical composition and structure
file con accesso da definire2017 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
file con accesso da definire2005 Meloni, S; Rosati, M; Federico, A; Ferraro, L; Mattoni, A; Colombo, L
| 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 | 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, M; Bonella, S; Meloni, S; Vanden Eijnden, E; Ciccotti, G | |
| 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 |