2 citations · 2 across the 2 of their papers we have counts for
4 papers
k-Means Clustering in Fingerprint-Based Configuration Selection for Fitting Interatomic Potentials
Miroslav Lebeda, Jan Drahokoupil, Ludvík Löbel +1
In this study, we present a method for selecting an arbitrary number of distinct configurations from a larger data set by applying k-means clustering to atomistic configuration fin…
Revealing interstitial energetics in Ti-23Nb-0.7Ta-2Zr gum metal base alloy via universal machine learning interatomic potentials
Miroslav Lebeda, Jan Drahokoupil, Veronika Mazáčová +1
Understanding the behavior of light interstitial elements in multicomponent alloys remains challenging due to the complexity of local chemical environments and the high computation…
Lattice Parameters and Bulk Modulus of SrTiMnO Perovskites: A Comparison of Exchange-Correlation Functionals with Experimental Validation
Miroslav Lebeda, Jan Drahokoupil, Stanislav Kamba +4
We assessed four exchange-correlation functionals (LDA CA-PZ, GGA parametrized by PBE, PBEsol, and WC) in predicting the lattice parameters of SrTiMn$_{\mathit{x}}…
The influence of nitrogen ion implantation on the microstructure and chemical composition of a thin layer on the biodegradable Zn-0.8Mg-0.2Sr substrate
Jan Pinc, Petr Vlcak, Miroslav Lebeda +15
In this research, the influence of the N+ ion implantation process on the microstructure of a biodegradable Zn-0.8Mg-0.2Sr alloy was investigated using various experimental techniq…