2 papers
cond-mat.mtrl-sci2021
Correction of Density-Functional-Theory based polynomial interatomic potentials to reproduce experimental melting properties
Bernd Bauerhenne, Martin E. Garcia
Recently, we developed a method to construct polynomial interatomic potentials from ab-initio calculations in order to accurately describe laser excited solids [PRL 124, 085501 (20…
cond-mat.mtrl-sci2018
Self-learning analytical interatomic potential describing laser-excited silicon
Bernd Bauerhenne, Vladimir P. Lipp, Tobias Zier +2
We develop an electronic-temperature dependent interatomic potential for unexcited and laser-excited silicon. The potential is designed to reproduce ab initio molec…