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Simone Meloni - Publications

Affiliations: 
Physics University College Dublin (Ireland) 
Area:
Physical Chemistry, Molecular Physics, General Chemistry
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26 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Capelli R, Lyu W, Bolnykh V, Meloni S, Olsen JMH, Rothlisberger U, Parrinello M, Carloni P. On the Accuracy of Molecular Simulation-based Predictions of k Values: A Metadynamics Study. The Journal of Physical Chemistry Letters. PMID 32672983 DOI: 10.1021/Acs.Jpclett.0C00999  0.301
2018 Marchio S, Meloni S, Giacomello A, Valeriani C, Casciola CM. Pressure control in interfacial systems: Atomistic simulations of vapor nucleation. The Journal of Chemical Physics. 148: 064706. PMID 29448782 DOI: 10.1063/1.5011106  0.307
2017 Amabili M, Meloni S, Giacomello A, Casciola CM. Activated Wetting of Nanostructured Surfaces: Reaction Coordinates, Finite Size Effects, and Simulation Pitfalls. The Journal of Physical Chemistry. B. PMID 29200302 DOI: 10.1021/Acs.Jpcb.7B07429  0.349
2017 Caddeo C, Saba MI, Meloni S, Filippetti A, Mattoni A. Collective Molecular Mechanisms in the CH3NH3PbI3 Dissolution by Liquid Water. Acs Nano. PMID 28783296 DOI: 10.1021/Acsnano.7B04116  0.307
2017 Lauricella M, Ciccotti G, English NJ, Peters B, Meloni S. Mechanisms and Nucleation Rate of Methane Hydrate by Dynamical Nonequilibrium Molecular Dynamics The Journal of Physical Chemistry C. 121: 24223-24234. DOI: 10.1021/Acs.Jpcc.7B05754  0.332
2015 Lauricella M, Meloni S, Liang S, English NJ, Kusalik PG, Ciccotti G. Clathrate structure-type recognition: Application to hydrate nucleation and crystallisation. The Journal of Chemical Physics. 142: 244503. PMID 26133437 DOI: 10.1063/1.4922696  0.323
2015 Meloni S, Ciccotti G. Free energies for rare events: Temperature accelerated MD and MC European Physical Journal: Special Topics. 224: 2389-2407. DOI: 10.1140/Epjst/E2015-02418-7  0.312
2015 Amabili M, Giacomello A, Meloni S, Casciola CM. Unraveling the Salvinia Paradox: Design Principles for Submerged Superhydrophobicity Advanced Materials Interfaces. 2. DOI: 10.1002/Admi.201500248  0.307
2014 English NJ, Lauricella M, Meloni S. Massively parallel molecular dynamics simulation of formation of clathrate-hydrate precursors at planar water-methane interfaces: insights into heterogeneous nucleation. The Journal of Chemical Physics. 140: 204714. PMID 24880318 DOI: 10.1063/1.4879777  0.319
2014 Lauricella M, Meloni S, English NJ, Peters B, Ciccotti G. Methane clathrate hydrate nucleation mechanism by advanced molecular simulations Journal of Physical Chemistry C. 118: 22847-22857. DOI: 10.1021/Jp5052479  0.346
2013 Geslin PA, Ciccotti G, Meloni S. An observable for vacancy characterization and diffusion in crystals. The Journal of Chemical Physics. 138: 144103. PMID 24981524 DOI: 10.1063/1.4796322  0.322
2013 Elena AM, Meloni S, Ciccotti G. Equilibrium and rate constants, and reaction mechanism of the HF dissociation in the HF(H2O)7 cluster by ab initio rare event simulations. The Journal of Physical Chemistry. A. 117: 13039-50. PMID 24256119 DOI: 10.1021/Jp406982H  0.662
2013 Giacomello A, Chinappi M, Meloni S, Casciola CM. Geometry as a catalyst: how vapor cavities nucleate from defects. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 14873-84. PMID 24205896 DOI: 10.1021/La403733A  0.316
2013 Lucid J, Meloni S, MacKernan D, Spohr E, Ciccotti G. Probing the structures of hydrated nafion in different morphologies using temperature-accelerated molecular dynamics simulations Journal of Physical Chemistry C. 117: 774-782. DOI: 10.1021/Jp309038N  0.333
2012 Giacomello A, Chinappi M, Meloni S, Casciola CM. Metastable wetting on superhydrophobic surfaces: continuum and atomistic views of the Cassie-Baxter-Wenzel transition. Physical Review Letters. 109: 226102. PMID 23368136 DOI: 10.1103/Physrevlett.109.226102  0.315
2012 Giacomello A, Meloni S, Chinappi M, Casciola CM. Cassie-Baxter and Wenzel states on a nanostructured surface: phase diagram, metastabilities, and transition mechanism by atomistic free energy calculations. Langmuir : the Acs Journal of Surfaces and Colloids. 28: 10764-72. PMID 22708630 DOI: 10.1021/La3018453  0.334
2012 Sterpone F, Bonella S, Meloni S. Early stage of the dehydrogenation of NaAlH 4 by ab initio rare event simulations Journal of Physical Chemistry C. 116: 19636-19643. DOI: 10.1021/Jp3019588  0.313
2011 Orlandini S, Meloni S, Ciccotti G. Hydrodynamics from statistical mechanics: combined dynamical-NEMD and conditional sampling to relax an interface between two immiscible liquids. Physical Chemistry Chemical Physics : Pccp. 13: 13177-81. PMID 21698337 DOI: 10.1039/C1Cp20778D  0.307
2011 Ciccotti G, Meloni S. Temperature accelerated Monte Carlo (TAMC): a method for sampling the free energy surface of non-analytical collective variables. Physical Chemistry Chemical Physics : Pccp. 13: 5952-9. PMID 21340075 DOI: 10.1039/C0Cp01335H  0.332
2011 Ippolito M, Meloni S. Atomistic structure of amorphous silicon nitride from classical molecular dynamics simulations Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.165209  0.32
2011 Orlandini S, Meloni S, Ciccotti G. Hydrodynamics from dynamical non-equilibrium MD Aip Conference Proceedings. 1332: 77-95. DOI: 10.1063/1.3569488  0.309
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 Lecture Notes in Computational Science and Engineering. 68: 187-206. DOI: 10.1007/S10820-008-9097-X  0.339
2008 Zazza C, Meloni S, Palma A. Structural and electronic properties of metal-doped organic semiconductors Modern Physics Letters B. 22: 1609-1631. DOI: 10.1142/S0217984908016388  0.319
2007 Zazza C, Meloni S, Palma A, Knupfer M, Fuentes GG, Car R. Quasi-one-dimensional K-O chain in PTCDA thin films: evidence from first-principles calculations. Physical Review Letters. 98: 046401. PMID 17358791 DOI: 10.1103/Physrevlett.98.046401  0.304
2005 Meloni S, Palma A, Kahn A, Schwartz J, Car R. Molecular and solid-state (8-hydroxy-quinoline)aluminum interaction with magnesium: A first-principles study Journal of Applied Physics. 98. DOI: 10.1063/1.1953869  0.316
2004 Mattoni A, Colombo L, Meloni S, Federico A, Rosati M. Boron ripening in amorphous silicon by large scale molecular dynamics simulations Computational Materials Science. 30: 143-149. DOI: 10.1016/J.Commatsci.2004.01.022  0.305
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