Giuseppe B. Suffritti

University of Sassari — Italy

Chemistry · Physical Sciences

33h-index4.4kcitations157works0.02yr avg
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Research Topics

Zeolite Catalysis and Synthesis(56), Spectroscopy and Quantum Chemical Studies(42), Advanced Chemical Physics Studies(25), Advanced NMR Techniques and Applications(25), Theoretical and Computational Physics(18)

Publications148 total

The influence of the reverse Mössbauer effect on diffusion and desorption of hydrogen absorbed in metals
International Journal of Hydrogen Energy·2019
Reverse Mössbauer effect as a possible source of “hot” protons in hydrogen absorbing metals
International Journal of Hydrogen Energy·2017· 2 cited
High-temperature dynamic behavior in bulk liquid water: A molecular dynamics simulation study using the OPC and TIP4P-Ew potentials
Frontiers of Physics·2017· 9 citedOpen Access
Computational Studies on the Effects of Pressure and Temperature on Zeolite Framework Structures
Advanced Science Letters·2017· 1 cited
A Combined Energy-Force Fitting Procedure to Develop DFT-Based Force Fields
The Journal of Physical Chemistry C·2016· 4 cited
Reverse Mössbauer effect as a possible source of “hot” molecules absorbed in crystalline solids at low temperature
The Journal of Chemical Physics·2016· 3 cited
A lattice dynamics study of ZK-4 microporous material under different temperature and pressure conditions
Microporous and Mesoporous Materials·2015· 1 cited
Diffusion of water in LTA zeolites
2015
A network of discrete events for the representation and analysis of diffusion dynamics
The Journal of Chemical Physics·2015· 2 cited
InfiniCharges: A tool for generating partial charges via the simultaneous fit of multiframe electrostatic potential (ESP) and total dipole fluctuations (TDF)
Computer Physics Communications·2015· 4 cited
Partial Charges in Periodic Systems: Improving Electrostatic Potential (ESP) Fitting via Total Dipole Fluctuations and Multiframe Approaches
Journal of Chemical Theory and Computation·2015· 23 cited
The interplay between dynamic heterogeneities and structure of bulk liquid water: A molecular dynamics simulation study
The Journal of Chemical Physics·2015· 4 cited
Improving the acceptance in Monte Carlo simulations: Sampling through intermediate states
Journal of Computational Physics·2015· 2 cited
Coarse-Graining of Adsorption in Microporous Materials: Relation between Occupancy Distributions and Local Partition Functions
The Journal of Physical Chemistry C·2014· 3 cited
Combining off-lattice Monte Carlo and cellular automata for the simulation of hard-sphere systems
Physical Review E·2014· 1 cited
A coarse-grained method based on the analysis of short molecular dynamics trajectories for the simulation of non-Markovian dynamics of molecules adsorbed in microporous materials
The Journal of Chemical Physics·2014· 2 cited
Thermodynamics of the one-dimensional parallel Kawasaki model: Exact solution and mean-field approximations
Physical Review E·2014· 1 cited
Fast and efficient optimization of Molecular Dynamics force fields for microporous materials: Bonded interactions via force matching
Microporous and Mesoporous Materials·2014· 13 cited
Distributions of single-molecule properties as tools for the study of dynamical heterogeneities in nanoconfined water
Journal of Physics Condensed Matter·2014· 4 cited
Peculiar Structure of Water in Slightly Superhydrated Vermiculite Clay Studied by Car–Parrinello Molecular Dynamics Simulations
The Journal of Physical Chemistry C·2014· 15 cited
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Frequent Co-authors

Pierfranco Demontis(40), Ettore Fois(8), Aldo Gamba(8), Antonio Tilocca(7), Jorge Gulı́n González(6), Simona Quartieri(5), Massimo Simonetta(5), Marco Sant(4), Marco Masia(4), G. Filippini(4), C. M. Gramaccioli(4), Giovanna Stara(3), P. Demontis(2), Silvano Spanu(2), S. Yashonath(2), Vittorio Rosato(2), Hervé Jobic(2), Jörg Kärger(2), P. Mura(2), Federico G. Pazzona(2)