SMARGIASSI, Enrico
A flexible atomic and polarizable potential for water. Application to small clusters
2008-01-01 Lussetti, Enrico; Pastore, Giorgio; Smargiassi, Enrico
A fully polarizable and dissociable potential for water
2003-01-01 E., Lussetti; Pastore, Giorgio; Smargiassi, Enrico
Ab-initio Molecular Dynamics of Semiconductor Defects
1992-01-01 R., Car; P., Bloechl; Smargiassi, Enrico
Ab-initio molecular dynamics with an orbital-free density functional
1993-01-01 M., Pearson; Smargiassi, Enrico; P., Madden
Defect Properties and diffusion in Sodium using ab-initio Molecular Dynamics
2001-01-01 Smargiassi, Enrico
Density Functional Methods at Finite Temperatures
1996-01-01 Hansen, J. P.; Smargiassi, Enrico
First Principles Calculations of Self-Diffusion Coefficients in Silicon
1990-01-01 P., Bloechl; D., Laks; E. S. S. T., Pantelides; Smargiassi, Enrico; R., Car; W., Andreoni; M., Parrinello
First Principles Calculations of Self-Diffusion Constants in Silicon
1993-01-01 P., Bloechl; Smargiassi, Enrico; R., Car; D., Laks; W., Andreoni; S., Pantelides
First Principles Molecular Dynamics studies of diffusion processes in crystalline silicon
1991-01-01 Chiarotti, G. L.; Buda, F.; Smargiassi, Enrico; Car, R.; Parrinello, M.
First-principles Free-energy Calculations on Condensed Matter Systems: Lattice Vacancy in Silicon
1996-01-01 Smargiassi, Enrico; R., Car
Free-energies of point defects in sodium from first-principles molecular dynamics simulations
1995-01-01 Smargiassi, Enrico; P. A., Madden
Free-energy calculations in solids from first-principles molecular dynamics: Vacancy formation in Sodium
1995-01-01 Smargiassi, Enrico; P. A., Madden
Orbital-free Kinetic Energy Functionals for First-Principles Molecular Dynamics
1994-01-01 Smargiassi, Enrico; P. A., Madden
Self-diffusion in Sodium via ab-initio molecular dynamics
2001-01-01 Smargiassi, Enrico
The Dynamic Structure of Liquid Sodium from Ab-Initio Simulation
1994-01-01 M., Foley; Smargiassi, Enrico; P. A., Madden
Theory of ab-initio molecular dynamics
1991-01-01 Pastore, Giorgio; Smargiassi, E.; Buda, F.
Theory of ab-initio Molecular Dynamics Calculations
1991-01-01 Pastore, Giorgio; Smargiassi, Enrico; F., Buda
Theory of the Car-Parrinello method for ab initio molecular dynamics calculations
1991-01-01 Pastore, Giorgio; Smargiassi, Enrico; F., Buda