M. Benoit

activity

20012019

most citedStructural properties of a calcium aluminosilicate glass from molecular-dynamics simulations: A finite size effects study

133 citations · 617 across the 9 of their papers we have counts for

collaborators

Showing 2001Show all

2 papers · 1 filter

cond-mat.dis-nn2001★ 126 cited

Structural properties of molten silicates from ab initio molecular-dynamics simulations: comparison between CaO-Al $_{2}$ O $_{3}$ -SiO $_{2}$ and SiO $_{2}$

Magali Benoit, Simona Ispas, Mark E. Tuckerman

We present the results of first-principles molecular-dynamics simulations of molten silicates, based on the density functional formalism. In particular, the structural properties o…

cond-mat.dis-nn2001★ 92 cited

Structural and electronic properties of the sodium tetrasilicate glass Na $_{2}$ Si $_{4}$ O $_{9}$ from classical and ab initio molecular-dynamics simulations

Simona Ispas, Magali Benoit, Philippe Jund +1

The structure and the electronic properties of a sodium tetrasilicate (Na $_{2}$ Si $_{4}$ O $_{9}$ ) glass were studied by combined Car-Parrinello and classical molecular-dynamics simul…

Structural properties of molten silicates from ab initio molecular-dynamics simulations: comparison between CaO-Al2​O3​-SiO2​ and SiO2​

Structural and electronic properties of the sodium tetrasilicate glass Na2​Si4​O9​ from classical and ab initio molecular-dynamics simulations

Structural properties of molten silicates from ab initio molecular-dynamics simulations: comparison between CaO-Al $_{2}$ O $_{3}$ -SiO $_{2}$ and SiO $_{2}$

Structural and electronic properties of the sodium tetrasilicate glass Na $_{2}$ Si $_{4}$ O $_{9}$ from classical and ab initio molecular-dynamics simulations