Water Adsorbed in AlPO₄-5 and SSZ-24 Studied by Molecular Dynamics SimulationDEMONTIS, Pierfranco; GULIN-GONZALEZ, J; SUFFRITTI, Giuseppe B et al.Journal of physical chemistry. C. 2012, Vol 116, Num 20, pp 11100-11109, issn 1932-7447, 10 p.Article

Water Nanoconfined in Clays: The Structure of Na Vermiculite Revisited by Ab Initio SimulationsDEMONTIS, Pierfranco; MASIA, Marco; SUFFRITTI, Giuseppe B et al.Journal of physical chemistry. C. 2013, Vol 117, Num 30, pp 15583-15592, issn 1932-7447, 10 p.Article

A Grand-Canonical Monte Carlo Study of the Adsorption Properties of Argon Confined in ZIF-8: Local Thermodynamic ModelingPAZZONA, Federico G; DEMONTIS, Pierfranco; SUFFRITTI, Giuseppe B et al.Journal of physical chemistry. C. 2013, Vol 117, Num 1, pp 349-357, issn 1932-7447, 9 p.Article

Development and Optimization of a New Force Field for Flexible Aluminosilicates, Enabling Fast Molecular Dynamics Simulations on Parallel ArchitecturesGABRIELI, Andrea; SANT, Marco; DEMONTIS, Pierfranco et al.Journal of physical chemistry. C. 2013, Vol 117, Num 1, pp 503-509, issn 1932-7447, 7 p.Article

Diffusion anomaly as a function of molecular length of linear molecules: Levitation effectGHORAI, Pradip Kr; YASHONATH, Subramanian; DEMONTIS, Pierfranco et al.Journal of the American Chemical Society. 2003, Vol 125, Num 23, pp 7116-7123, issn 0002-7863, 8 p.Article

Force Field for Molecular Dynamics Computations in Flexible ZIF-8 FrameworkBIN ZHENG; SANT, Marco; DEMONTIS, Pierfranco et al.Journal of physical chemistry. C. 2012, Vol 116, Num 1, pp 933-938, issn 1932-7447, 6 p.Article

Fast and efficient optimization of Molecular Dynamics force fields for microporous materials: Bonded interactions via force matchingGABRIELI, Andrea; SANT, Marco; DEMONTIS, Pierfranco et al.Microporous and mesoporous materials. 2014, Vol 197, pp 339-347, issn 1387-1811, 9 p.Article

Modelling diffusion in zeolites with cellular automataDEMONTIS, Pierfranco; PAZZONA, Federico G; SUFFRITTI, Giuseppe B et al.Studies in surface science and catalysis. 2008, Vol 174, pp 701-704, issn 0167-2991, isbn 978-0-444-53296-1 978-0-444-53297-8 978-0-444-53298-5, 2Vol, 4 p., BConference Paper

A comment on the flexibility of framework in molecular dynamics simulations of zeolitesDEMONTIS, Pierfranco; SUFFRITTI, Giuseppe B.Microporous and mesoporous materials. 2009, Vol 125, Num 1-2, pp 160-168, issn 1387-1811, 9 p.Article