93 citations · 93 across the 1 of their papers we have counts for
3 papers
Classical interaction potentials for diverse materials from ab initio data: a review of potfit
Peter Brommer, Alexander Kiselev, Daniel Schopf +3
Force matching is an established technique to generate effective potentials for molecular dynamics simulations from first-principles data. This method has been implemented in the o…
Low-temperature structure of xi'-Al-Pd-Mn optimized by ab-initio methods
Benjamin Frigan, Alejandro Santana, Michael Engel +3
We have studied and resolved occupancy correlations in the existing average structure model of the complex metallic alloy xi'-Al-Pd-Mn [Boudard et al., Phil. Mag. A, 74, 939 (1996)…
Embedded atom method potentials for Al-Pd-Mn phases
Daniel Schopf, Peter Brommer, Benjamin Frigan +1
A novel embedded atom method (EAM) potential for the Xi-phases of Al-Pd-Mn has been determined with the force-matching method. Different combinations of analytic functions were tes…