Enrico Smargiassi

Theory of<i>ab initio</i>molecular-dynamics calculations

G. Pastore, Enrico Smargiassi, Francesco Buda · Physical Review A · 1991 · 321 citations

Quantum Dynamic, Engineering, Physics +13

First-principles calculations of self-diffusion constants in silicon

Peter E. Blöchl, Enrico Smargiassi, Roberto Car et al. · Physical Review Letters · 1993 · 275 citations

Engineering, Diffusion Resistance, Physics +14

Orbital-free kinetic-energy functionals for first-principles molecular dynamics

Enrico Smargiassi, Paul A. Madden · Physical review. B, Condensed matter · 1994 · 199 citations

Molecular Kinetics, Simple Metals, Engineering +14

Ab initio molecular dynamics with an orbital-free density functional

M. J. Pearson, Enrico Smargiassi, P.A. Madden · Journal of Physics Condensed Matter · 1993 · 118 citations

Engineering, Material Simulation, Computational Chemistry +16

Free-energy calculations in solids from first-principles molecular dynamics: Vacancy formation in sodium

Enrico Smargiassi, Paul A. Madden · Physical review. B, Condensed matter · 1995 · 64 citations

Free Energy, Engineering, Material Simulation +17