The structural properties of silica using classical and quantum interatomic forces James R. ChelikowskyNitin R. KeskarNadia Binggeli OriginalPaper Pages: 1 - 37
High pressure studies of Mantle minerals by ab initio variable cell shape molecular dynamics Renata M. WentzcovitchG. David Price OriginalPaper Pages: 39 - 61
Calculation of mineral properties with the electron gas model Roy G. GordonDaniel J. Lacks OriginalPaper Pages: 63 - 79
Advances in electron-gas potential models: Applications to some candidate lower mantle minerals M. S. T. BukowinskiA. ChizmeshyaH. Zhang OriginalPaper Pages: 81 - 112
Quantum-mechanical and classical simulations of Mg-Ca carbonates Michele CattiAlessandro Pavese OriginalPaper Pages: 113 - 156
Molecular dynamics simulation of silica with a first-principles interatomic potential Shinji Tsuneyuki OriginalPaper Pages: 157 - 182
Molecular dynamics simulation of silicate glasses A. N. CormackYuan Cao OriginalPaper Pages: 183 - 227