113 citations · 529 across the 8 of their papers we have counts for
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Molecular dynamics computer simulation of amorphous silica under high pressure
Juergen Horbach
The structural and dynamic properties of silica melts under high pressure are studied using molecular dynamics (MD) computer simulation. The interactions between the ions are model…
Comparative classical and ab initio Molecular Dynamics study of molten and glassy germanium dioxide
Michael Hawlitzky, Juergen Horbach, Simona Ispas +2
A Molecular Dynamics (MD) study of static and dynamic properties of molten and glassy germanium dioxide is presented. The interactions between the atoms are modelled by the classic…
Molecular Dynamics Computer Simulation of Crystal Growth and Melting in Al50Ni50
Ali Kerrache, Juergen Horbach, Kurt Binder
The melting and crystallization of Al50Ni50} are studied by means of molecular dynamics computer simulations, using a potential of the embedded atom type to model the interactions…
New fitting scheme to obtain effective potential from Car-Parrinello molecular dynamics simulations: Application to silica
Antoine Carre, Juergen Horbach, Simona Ispas +1
A fitting scheme is proposed to obtain effective potentials from Car-Parrinello molecular dynamics (CPMD) simulations. It is used to parameterize a new pair potential for silica. M…