Šob M - Search Results

1

Best-Practice Aspects of Quantum-Computer Calculations: A Case Study of the Hydrogen Molecule.

Miháliková I, Friák M, Pivoluska M, Plesch M, Saip M, Šob M. Miháliková I, et al. Among authors: sob m. Molecules. 2022 Jan 18;27(3):597. doi: 10.3390/molecules27030597. Molecules. 2022. PMID: 35163858 Free PMC article.

2

The Cost of Improving the Precision of the Variational Quantum Eigensolver for Quantum Chemistry.

Miháliková I, Pivoluska M, Plesch M, Friák M, Nagaj D, Šob M. Miháliková I, et al. Among authors: sob m. Nanomaterials (Basel). 2022 Jan 14;12(2):243. doi: 10.3390/nano12020243. Nanomaterials (Basel). 2022. PMID: 35055269 Free PMC article.

3

Origin of the Low Magnetic Moment in Fe₂AlTi: An Ab Initio Study.

Friák M, Slávik A, Miháliková I, Holec D, Všianská M, Šob M, Palm M, Neugebauer J. Friák M, et al. Among authors: sob m. Materials (Basel). 2018 Sep 14;11(9):1732. doi: 10.3390/ma11091732. Materials (Basel). 2018. PMID: 30223499 Free PMC article.

4

An Ab Initio Study of Vacancies in Disordered Magnetic Systems: A Case Study of Fe-Rich Fe-Al Phases.

Miháliková I, Friák M, Koutná N, Holec D, Šob M. Miháliková I, et al. Among authors: sob m. Materials (Basel). 2019 May 2;12(9):1430. doi: 10.3390/ma12091430. Materials (Basel). 2019. PMID: 31052537 Free PMC article.

5

A Quantum-Mechanical Study of Clean and Cr-Segregated Antiphase Boundaries in Fe₃Al.

Friák M, Všianská M, Šob M. Friák M, et al. Among authors: sob m. Materials (Basel). 2019 Nov 28;12(23):3954. doi: 10.3390/ma12233954. Materials (Basel). 2019. PMID: 31795289 Free PMC article.

6

Quantum-Mechanical Assessment of the Energetics of Silver Decahedron Nanoparticles.

Polsterová S, Friák M, Všianská M, Šob M. Polsterová S, et al. Among authors: sob m. Nanomaterials (Basel). 2020 Apr 16;10(4):767. doi: 10.3390/nano10040767. Nanomaterials (Basel). 2020. PMID: 32316217 Free PMC article.

7

Impact of Antiphase Boundaries on Structural, Magnetic and Vibrational Properties of Fe₃Al.

Friák M, Černý M, Všianská M, Šob M. Friák M, et al. Among authors: sob m. Materials (Basel). 2020 Oct 30;13(21):4884. doi: 10.3390/ma13214884. Materials (Basel). 2020. PMID: 33143267 Free PMC article.

8

The Effect of Hydrogen on the Stress-Strain Response in Fe₃Al: An ab initio Molecular-Dynamics Study.

Šesták P, Friák M, Šob M. Šesták P, et al. Among authors: sob m. Materials (Basel). 2021 Jul 26;14(15):4155. doi: 10.3390/ma14154155. Materials (Basel). 2021. PMID: 34361349 Free PMC article.

9

An Ab Initio Study of Connections between Tensorial Elastic Properties and Chemical Bonds in Σ5(210) Grain Boundaries in Ni₃Si.

Friák M, Zelený M, Všianská M, Holec D, Šob M. Friák M, et al. Among authors: sob m. Materials (Basel). 2018 Nov 13;11(11):2263. doi: 10.3390/ma11112263. Materials (Basel). 2018. PMID: 30428570 Free PMC article.

10

An Ab Initio Study of Pressure-Induced Reversal of Elastically Stiff and Soft Directions in YN and ScN and Its Effect in Nanocomposites Containing These Nitrides.

Friák M, Kroupa P, Holec D, Šob M. Friák M, et al. Among authors: sob m. Nanomaterials (Basel). 2018 Dec 14;8(12):1049. doi: 10.3390/nano8121049. Nanomaterials (Basel). 2018. PMID: 30558137 Free PMC article.

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