M. Krack

Comparative classical and ab initio Molecular Dynamics study of molten and glassy germanium dioxide (2008)

Hawlitzky, M., Horbach, J., Ispas, S., Krack, M., Binder, K.

A molecular dynamics (MD) study of the static and dynamic properties of molten and glassy germanium dioxide is presented. The interactions between the atoms are modeled by the classical pair...

Comparative classical and 'ab initio' molecular dynamics study of molten and glassy germanium dioxide (2008)

Hawlitzky, M., Horbach, J., Ispas, S., Krack, M., Binder, K.

Coexistence of tetrahedral and octahedral-like sites in amorphous phase change materials (2007)

Caravati, S., Bernasconi, M., Kuehne, T. D., Krack, M., Parrinello, M.

Chalcogenide alloys are materials of interest for optical recording and non-volatile memories. We perform ab-initio molecular dynamics simulations aiming at shading light onto the structure of...

All-electron ab-initio molecular dynamics (2000)

Krack, M., Parrinello, M.