<i>Ab initio</i>molecular dynamics for liquid metals
We present ab initio quantum-mechanical molecular-dynamics calculations based on the calculation of the electronic ground state and of the Hellmann-Feynman forces in the local-d...
Publications
5 shown<i>Ab initio</i>molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
We present ab initio quantum-mechanical molecular-dynamics simulations of the liquid-metal--amorphous-semiconductor transition in Ge. Our simulations are based on (a) finite-tem...
<i>Ab initio</i>molecular dynamics for open-shell transition metals
We show that quantum-mechanical molecular-dynamics simulations in a finite-temperature local-density approximation based on the calculation of the electronic ground state and of...
Liquid structure of transition metals: investigations using molecular dynamics and perturbation- and integral-equation techniques
The authors present investigations of the structure of liquid 3d and 4d transition metals using molecular dynamics simulations, thermodynamic perturbation theories, and integral...
A molecular dynamics study of the structure of liquid germanium
The structure of liquid Ge as a function of temperature and density was investigated using molecular dynamics and interatomic forces derived from the pseudopotential theory. The...
Frequent Co-Authors
Researcher Info
- h-index
- 5
- Publications
- 5
- Citations
- 72,103
- Institution
- TU Wien
External Links
Impact Metrics
h-index
5
h-index: Number of publications with at least h citations each.