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 |
0.661 |
|
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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