From the 1 of 35 papers with an AI index.
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- A. Giri4 profiles4 · h 4
- Jan Drahokoupil2 profiles4 · h 4
- Miroslav Lebeda4 · h 4
- A. Aurisano2 profiles3 · h 66
- A. Back2 profiles3 · h 16
- A. Barros2 profiles3 · h 12
- A. Habig2 profiles3 · h 67
- A. Himmel2 profiles3 · h 57
- B. Bhuyan2 profiles3 · h 9
- B. Brahma2 profiles3 · h 10
- C. Bromberg2 profiles3 · h 17
- E. Catano-Mur2 profiles3 · h 22
- FZU ‒ Institute of Physics of the Academy of Sciences of the Czech RepublicCZ14 papers
- Czech Technical University in PragueCZ10 papers
- Charles UniversityCZ9 papers
- Institute of Physics of the Slovak Academy of SciencesSK5 papers
- Argonne National LaboratoryUS4 papers
- Michigan State UniversityUS4 papers
- National Institute of Science Education and ResearchIN4 papers
- Panjab UniversityIN4 papers
- The Ohio State UniversityUS4 papers
- The University of Texas at AustinUS4 papers
- University of HoustonUS4 papers
- California Institute of TechnologyUS3 papers
13 papers · 1 filter
Room-temperature antiferromagnetic resonance in NaMnAs
Jan Dzian, StáÅa Tázlarů, Ivan Mohelský +16
We report on antiferromagnetic resonance experiments in bulk tetragonal NaMnAs -- a room-temperature antiferromagnetic semiconductor. Our results corroborate previous ab initio stu…
k-Means Clustering in Fingerprint-Based Configuration Selection for Fitting Interatomic Potentials
Miroslav Lebeda, Jan Drahokoupil, LudvÃk 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…
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}}…
Revealing interstitial energetics in Ti-23Nb-0.7Ta-2Zr gum metal base alloy via universal machine learning interatomic potentials
Miroslav Lebeda, Jan Drahokoupil, Veronika MazáÄová +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…
SimplySQS: An Automated and Reproducible Workflow for Special Quasirandom Structure Generation with ATAT
Miroslav Lebeda, Jan Drahokoupil, Petr VlÄák +2
The special quasirandom structure (SQS) method is widely used for modeling disordered materials under periodic boundary conditions, with the ATAT mcsqs module being one of the most…
Fragmented charged domain wall below the tetragonal-orthorhombic phase transition in BaTiO3
Petr S. Bednyakov, Iegor Rafalovskyi, Jiri Hlinka
Ferroelectric charged domain walls are known for their high electrical conductivity, making them promising candidates for applications in modern electronics. A remarkably high cond…