2022

• A quantum-mechanical study of antiphase boundaries inFe2CoAl

  FRIÁK Martin GRACIAS Josef PAVLŮ Jana ŠOB Mojmír

  Conference abstract

  Year: 2022, type: Conference abstract

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

  MIHÁLIKOVÁ Ivana FRIÁK Martin PIVOLUSKA Matej PLESCH Martin SAIP Martin ŠOB Mojmír

  Article in Periodical

  MOLECULES, year: 2022, volume: 27, edition: 3, DOI

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

  MIHÁLIKOVÁ Ivana PIVOLUSKA Matej PLESCH Martin FRIÁK Martin NAGAJ Daniel ŠOB Mojmír

  Article in Periodical

  Nanomaterials, year: 2022, volume: 12, edition: 2, DOI

2021

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

  FRIÁK Martin GRACIAS Josef PAVLŮ Jana ŠOB Mojmír

  Article in Periodical

  Magnetochemistry, year: 2021, volume: 7, edition: 10, DOI

• Structure and properties of novel nanocomposites formed by intermetallic compounds

  ŠOB Mojmír FRIÁK Martin ŠESTÁK Petr ŘEHÁK Petr ČERNÝ Martin VŠIANSKÁ Monika PAVLŮ Jana MIHÁLIKOVÁ Ivana SLÁVIK Anton MAZALOVÁ Martina KOPECKÝ Vojtěch KOUTNÁ Nikola NEZVAL David KOHOUTKOVÁ Eliška

  Chapter of a book

  Supercomputing in Science and Engineering 2019–2020, year: 2021, number of pages: 4 s.

2020

• Multi-phase ELAStic Aggregates (MELASA) software tool for modeling anisotropic elastic properties of lamellar composites

  FRIÁK Martin LAGO Dušan KOUTNÁ Nikola HOLEC David REBOK Tomáš ŠOB Mojmír

  Article in Periodical

  Computer Physics Communications, year: 2020, volume: 247, edition: FEB 2020, DOI

• Point-defect engineering of MoN/TaN superlattice films: A first-principles and experimental study

  KOUTNÁ Nikola HAHN Rainer ZÁLEŠÁK Jakub FRIÁK Martin BARTOSIK Matthias KECKES Jozef ŠOB Mojmír MAYRHOFER Paul H. HOLEC David

  Article in Periodical

  Materials and Design, year: 2020, volume: 186, edition: JAN 15 2020, DOI

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

  POLSTEROVÁ Svatava FRIÁK Martin VŠIANSKÁ Monika ŠOB Mojmír

  Article in Periodical

  Nanomaterials, year: 2020, volume: 10, edition: 4, DOI

2019

• An ab initio study of thermodynamic and mechanical stability of Heusler-based Fe2CoAl polymorphs

  FRIÁK Martin KOVAŘÍKOVÁ OWEIS Sabina PAVLŮ Jana HOLEC David ŠOB Mojmír

  Conference abstract

  Year: 2019, type: Conference abstract

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

  MIHÁLIKOVÁ Ivana FRIÁK Martin KOUTNÁ Nikola HOLEC David ŠOB Mojmír

  Article in Periodical

  Materials, year: 2019, volume: 12, edition: 9, DOI