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Masia, Marco

Masia, Marco  

Istituto Officina dei Materiali - IOM -  

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Titolo Data di pubblicazione Autore(i) File
Hydrogen Bonding and Related Properties in Liquid Water: A Car-Parrinello Molecular Dynamics Simulation Study 1-gen-2015 Guardia E.; Skarmoutsos I.; Masia M.
Quasi-boundary based on exchange symmetry theory for multilevel simulations 1-gen-2015 Shiga, M; Masia, M
The interplay between dynamic heterogeneities and structure of bulk liquid water: A molecular dynamics simulation study 1-gen-2015 Demontis, P; Gulingonzalez, J; Masia, M; Sant, M; Suffritti, Gb
Peculiar Structure of Water in Slightly Superhydrated Vermiculite Clay Studied by Car-Parrinello Molecular Dynamics Simulations 1-gen-2014 Demontis, Pierfranco; Masia, Marco; Suffritti, Giuseppe B.
The Force Matching Approach to Multiscale Simulations: Merits, Shortcomings, and Future Perspectives 1-gen-2014 Masia, Marco; Guardia, Elvira; Nicolini, Paolo
Boundary based on exchange symmetry theory for multilevel simulations. I. Basic theory 1-gen-2013 Shiga, Motoyuki; Masia, Marco
Boundary based on exchange symmetry theory for multilevel simulations. II. Multiple time scale approach 1-gen-2013 Shiga, Motoyuki; Masia, Marco
Estimating Chloride Polarizability in a Water Solution 1-gen-2013 Masia, Marco; Masia, Marco
Shortcomings of the standard Lennard-Jones dispersion term in water models, studied with force matching 1-gen-2013 Nicolini, Paolo; Guardia, Elvira; Masia, Marco
Simulation study of CO2 adsorption properties in small Zeolite Imidazolate Frameworks 1-gen-2013 Rana, Malay Kumar; Suffritti, Giuseppe Baldovino; Demontis, Pierfranco; Masia, Marco
Water Nanoconfined in Clays: The Structure of Na Vermiculite Revisited by Ab Initio Simulations 1-gen-2013 Demontis, Pierfranco; Masia, Marco; Suffritti Giuseppe, B
Aqueous halide potentials from force matching of Car-Parrinello data 1-gen-2012 Spångberg, Daniel; Guàrdia, Elvira; Masia, Marco
Fitting properties from density functional theory based molecular dynamics simulations to parameterize a rigid water force field 1-gen-2012 Jonàs Sala; Elvira Guàrdia; Jordi Martí; Daniel Spångberg; Marco Masia
How polarization damping affects ion solvation dynamics. 1-gen-2012 Guàrdia, Elvira; March Calvo, Ausias; Masia, Marco
Unraveling the Role of Water in the Stereoselective Step of Aqueous Proline-Catalyzed Aldol Reactions. 1-gen-2012 Ribasarino, Jordi; Angels Carvajal, Maria; Chaumont, Alain; Masia, Marco
Aggregation-Induced Chemical Reactions: Acid Dissociation in Growing Water Clusters 1-gen-2011 Forbert, Harald; Masia, Marco; Kaczmarekkedziera, Anna; N Nair, Nisanth; Marx, Dominik
Competition Between Transport Phenomena in a reaction-diffusion-convection System 1-gen-2011 Ciotti, L; Budroni, Ma; Masia, M; Marchettini, N; Rustici, M
Constructing simple yet accurate potentials for describing the solvation of HCl/water clusters in bulk helium and nanodroplets 1-gen-2011 Daniel Boese, A; Forbert, Harald; Masia, Marco; Tekin, Adem; Marx, Dominik; Jansen, Georg
Estimation of Partial Charges in Small Zeolite Imidazolate Frameworks from Density Functional Theory Calculations 1-gen-2011 Malay Kumar Rana; Federico Giovanni Pazzona; Giuseppe Baldovino Suffritti; Pierfranco Demontis; Marco Masia
Improving the force matching algorithm: Application to a simple point charge flexible model of water 1-gen-2011 Sala, Jonàs; Guàrdia, Elvira; Masia, Marco