Mojmir Sob

Professor / Senior Research Scientist

Masaryk University, Faculty of Science

Czech Republic

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Professor Mojmir Sob is a Senior Research Scientist at Masaryk University, Faculty of Science in the Czech Republic. His research focuses on theoretical studies related to materials science, particularly in areas such as grain boundary segregation, quantum computing applications, and the properties of metallic compounds. Recent articles have explored various subjects including the impact of disorder in Fe2CoAl alloys and temperature-dependent properties of Fe3Al.

Articles (13)

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2025

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2023

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2023

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2022

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2022

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2022

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2021

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2021

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2021

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2021

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2021

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2021

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2020

Collaborators (3)

Martin Plesch

Masaryk University

CZECH REPUBLIC

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Petr Šesták

CZECH REPUBLIC

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Marius H. Wetzel

Fraunhofer-Institut für Integrierte Systeme und Bauelementetechnologie IISB

GERMANY

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Mojmir Sob

Research Interests

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Articles (13)

Entropy: A controversy between experiment and calculations in grain boundary segregation

A critical comparative review of generalized gradient approximation: the ground state of Fe3Al as a test case

Theoretical study of MoSi2/TiSi2 disilicide nanocomposites with vacancies and impurities

Temperature-dependent impact of antiphase boundaries on properties of Fe3Al

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

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

A Quantum-Mechanical Study of Antiphase Boundaries in Ferromagnetic B2-Phase Fe2CoAl Alloy

Impact of Disorder on Properties of Vacancies: A Case Study of B2 and A2 Polymorphs of Non-Stoichiometric Fe2CoAl

The Impact of Vibrational Entropy on the Segregation of Cu to Antiphase Boundaries in Fe3Al

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

Phase Stability of Iron Nitride Fe4N at High Pressure—Pressure-Dependent Evolution of Phase Equilibria in the Fe–N System

An Ab Initio Study of Pressure-Induced Changes of Magnetism in Austenitic Stoichiometric Ni<sub>2</sub>MnSn

Editorial for the Special Issue on Computational Quantum Physics and Chemistry of Nanomaterials

Collaborators (3)

Martin Plesch

Petr Šesták

Marius H. Wetzel

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