A first principles based polarizable O(N) interatomic force field for bulk silica

Direct Wolf summation of a polarizable force field for silica

(2010) Peter Brommer et al.   JOURNAL OF CHEMICAL PHYSICS

A reactive molecular dynamics simulation of the silica-water interface

(2010) Joseph C. Fogarty et al.   JOURNAL OF CHEMICAL PHYSICS

Polarizable interatomic force field forTiO2parametrized using density functional theory

(2010) X. J. Han et al.   PHYSICAL REVIEW B

Hybrid atomistic simulation methods for materials systems

(2009) N Bernstein et al.   REPORTS ON PROGRESS IN PHYSICS

FFSiOH: a New Force Field for Silica Polymorphs and Their Hydroxylated Surfaces Based on Periodic B3LYP Calculations

(2008) Alfonso Pedone et al.   CHEMISTRY OF MATERIALS

Low-speed fracture instabilities in a brittle crystal

(2008) J. R. Kermode et al.   NATURE

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B