Výpis publikací

ČÍPEK, Petr; Jana PAVLŮ; Martin FRIÁK a Alena MICHALCOVÁ. Ab-initio-based analysis of phonon contributions to negative thermal expansion of α-tin. In Verhandlungen der Deutschen Physikalischen Gesellschaft (DPG). 2025.

BERECOVÁ, Valentína; Martin FRIÁK; Naděžda PIZÚROVÁ a Jana PAVLŮ. Analysis of magnetic spin disorder in ferrimagnetic iron oxides with DFT and beyond-DFT approaches. In 9th Users´ Conference of IT4Innovations. 2025.

BERECOVÁ, Valentína; Martin FRIÁK a Jana PAVLŮ. Cleavage in SiO2: first-principles and ML-potential study. In Machine Learning for Materials Discovery (ML4MD) workshop. 2025.

ZOBAČ, Ondřej; Martin FRIÁK; Sabina KOVAŘÍKOVÁ OWEIS; Jana PAVLŮ; David HOLEC; Simona ZLÁ; Monika KAWULOKOVÁ; Bedřich SMETANA a Andy WATSON. COMBINED EXPERIMENTAL AND THEORETICAL STUDY OF STABILITY OF LA2NI7. In Proceedings of the 34th International Conference on Metallurgy and Materials (METAL 2025). Ostrava: TANGER Ltd., 2025, s. 544-549. ISBN 978-80-88365-27-3. Dostupné z: https://doi.org/10.37904/metal.2025.5154.

FRIÁK, Martin; Petr ČÍPEK; Pavla ROUPCOVÁ; Oldřich SCHNEEWEISS; Jana PAVLŮ; Dominika FINK; Šárka MSALLAMOVÁ a Alena MICHALCOVÁ. Combined theoretical and experimental study of magnetic properties of Fe-Sn intermetallics. In Verhandlungen der Deutschen Physikalischen Gesellschaft (DPG). 2025.

MIKŠÍK, Dávid; Ondrej ZOBAC; Jana PAVLŮ a Ales KROUPA. Experimental phase diagram of the Co-Se-Sn system at 400, 600 and 1000 °C. JOURNAL OF ALLOYS AND COMPOUNDS. LAUSANNE: ELSEVIER SCIENCE SA, 2025, roč. 1044, NOV, s. 1-9. ISSN 0925-8388. Dostupné z: https://doi.org/10.1016/j.jallcom.2025.184561.

BERECOVÁ, Valentína; Martin FRIÁK; Naděžda PIZÚROVÁ a Jana PAVLŮ. Exploring spin disorder in ferrimagnetic iron oxides using standard DFT and advanced computational methods. In 17th International Conference on Nanomaterials - Research & Applications (NANOCON 2025). 2025.

FRIÁK, Martin; Sabina KOVAŘÍKOVÁ OWEIS; Kateřina DOČKALOVÁ; Anna HUŇAŘOVÁ; Jana PAVLŮ; Ondřej ZOBAČ; David HOLEC; Monika KAWULOKOVÁ; Simona ZLÁ a Bedřich SMETANA. Fine-tuning stability of La-Ni-Sn-H materials for hydrogen storage. In 9th Users´ Conference of IT4Innovations. 2025.

BERECOVÁ, Valentína; Martin FRIAK; Nadezda PIZUROVA a Jana PAVLŮ. First-principles insights into structure and magnetism in ultra-small tetrahedral iron oxide nanoparticles. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. CAMBRIDGE: ROYAL SOC CHEMISTRY, 2025, roč. 27, č. 40, s. 1-18. ISSN 1463-9076. Dostupné z: https://doi.org/10.1039/d5cp01415h.

FRIÁK, Martin; Sabina KOVAŘÍKOVÁ OWEIS; Jana PAVLŮ; David HOLEC; Ondřej ZOBAČ; Monika KAWULOKOVÁ; Simona ZLÁ a Bedřich SMETANA. FIRST-PRINCIPLES STUDY OF THERMODYNAMIC STABILITY AND ELASTICITY OF LA5NI19. In Proceedings of the 34th International Conference on Metallurgy and Materials (METAL 2025). Ostrava: TANGER Ltd., 2025, s. 428-433. ISBN 978-80-88365-27-3. Dostupné z: https://doi.org/10.37904/metal.2025.5092.

FRIAK, Martin; Petr ČÍPEK; Pavla ROUPCOVA; Oldrich SCHNEEWEISS; Jana PAVLŮ; Dominika FINK; Sarka MSALLAMOVA; David HOLEC a Alena MICHALCOVA. Impact of thermal vibrations on the stability of the FeSn2 intermetallics. INTERMETALLICS. London: ELSEVIER SCI LTD, 2025, roč. 182, JUL, s. 1-9. ISSN 0966-9795. Dostupné z: https://doi.org/10.1016/j.intermet.2025.108755.

RODRIGUEZ-PEREIRA, Jhonatan; Kristýna GAZDOVÁ; Sy Nguyen PHAM; Naděžda PIZÚROVÁ; Michal KURKA; Jana PAVLŮ; Hoa Hong NGUYEN; Martin FRIÁK a Jan M. MACAK. Magnetism of Ultrathin TiO2 Films Prepared by Atomic Layer Deposition. ACS Applied Nano Materials. American Chemical Society, 2025, roč. 8, č. 41, s. 20105-20114. ISSN 2574-0970. Dostupné z: https://doi.org/10.1021/acsanm.5c04214.

DRGOŇA, Jaroslav; Martina POCHYLÁ a Jana PAVLŮ. Oxygen impact on stability and magnetism of Mn-based eta phases: Quantum-mechanical analysis. In Eleventh International Conference on Materials Structure & Micromechanics of Fracture (MSMF11). 2025.

FRIÁK, Martin; Sabina KOVAŘÍKOVÁ OWEIS; Kateřina DOČKALOVÁ; Anna HUŇAŘOVÁ; Jana PAVLŮ; Ondřej ZOBAČ; David HOLEC; Monika KAWULOKOVÁ; Simona ZLÁ a Bedřich SMETANA. Phase stability of La-Ni-Sn-H materials intended for hydrogen storage. In the 2025 Fall Meeting of the European Materials Research Society (E-MRS). 2025.

BERECOVÁ, Valentína; Martin FRIÁK; Naděžda PIZÚROVÁ a Jana PAVLŮ. Quantum mechanical analysis of complex ferrimagnetic states in iron oxide nanoparticles. In Verhandlungen der Deutschen Physikalischen Gesellschaft (DPG). 2025.

BERECOVÁ, Valentína; Martin FRIÁK; Naděžda PIZÚROVÁ a Jana PAVLŮ. Quantum mechanical analysis of complex magnetic states in iron oxide nanoparticles. In Eleventh International Conference on Materials Structure & Micromechanics of Fracture (MSMF11). 2025.

DOČKALOVÁ, Kateřina; Martin FRIÁK; Ondřej ZOBAČ a Jana PAVLŮ. Quantum-mechanical analysis of H7LaNi5-xSnx. In 9th Users´ Conference of IT4Innovations. 2025.

KOVAŘÍKOVÁ OWEIS, Sabina; Jana PAVLŮ; Ondřej ZOBAČ; Monika KAWULOKOVÁ; Simona ZLÁ a Martin FRIÁK. Quantum-mechanical study of LaNiSn intermetallic phase containing hydrogen atoms. In 34th International Conference on Metallurgy and Materials (METAL 2025). 2025.

FRIÁK, Martin; Petr ČÍPEK; Pavla ROUPCOVÁ; Oldřich SCHNEEWEISS; Jana PAVLŮ; Dominika FINK; Šárka MSALLAMOVÁ a Alena MICHALCOVÁ. Temperature dependence of second and third-order elastic constants in Fe-Sn phases. In Eleventh International Conference on Materials Structure & Micromechanics of Fracture (MSMF11). 2025.

ZOBAC, Ondrej; David NOVÁK; Jana PAVLŮ; Martin FRIAK a Ales KROUPA. Thermodynamic study of binary phase diagram iron-selenium. Calphad: Computer Coupling of Phase Diagrams and Thermochemistry. OXFORD: Elsevier Science, 2025, roč. 88, MAR, s. 1-8. ISSN 0364-5916. Dostupné z: https://doi.org/10.1016/j.calphad.2024.102774.

ROUPCOVÁ, Pavla; Petr ŠESTÁK; Martin FRIÁK; Petr ČÍPEK; Jana PAVLŮ a Alena MICHALCOVÁ. Tin allotropes studied by quantum-mechanical and data-driven interatomic-potential methods. In Eleventh International Conference on Materials Structure & Micromechanics of Fracture (MSMF11). 2025.

HUŇAŘOVÁ, Anna; Valentína BERECOVÁ; Ondřej ZOBAČ; Martin FRIÁK; Andy WATSON; David HOLEC a Jana PAVLŮ. Unveiling the consequences of complete substitution of Sn for Ni in LaNi5: A DFT perspective. In 17th International Conference on Nanomaterials - Research & Applications (NANOCON 2025). 2025.

ČÍPEK, Petr; Martin FRIÁK a Jana PAVLŮ. Ab initio analysis of phonon contributions to the negative thermal expansion of α-tin. In NANOCON. 2024.

BERECOVÁ, Valentína; Martin FRIÁK; Naděžda PIZÚROVÁ a Jana PAVLŮ. Ab Initio investigation of intricate ferrimagnetic states in iron oxide nanoparticles. In 16th International Conference on Nanomaterials (NANOCON), Brno, Czech Republic. 2024.

FRIÁK, Martin; Petr ČÍPEK; Jana PAVLŮ; Ondřej ZOBAČ; Pavla ROUPCOVÁ; Ivana MIHÁLIKOVÁ; David HOLEC; Šárka MSALLAMOVÁ a Alena MICHALCOVÁ. Ab initio study of structure-property relations in Pb-supersaturated Sn-rich Pb-Sn alloys. In 87. Jahrestagung der DPG und DPG-Frühjahrstagung (87th Annual Conference of the DPG and DPG Spring Meeting). 2024.

FRIÁK, Martin; Petr ČÍPEK; Pavla ROUPCOVÁ; Oldřich SCHNEEWEISS; Jana PAVLŮ; Dominika FINK; Šárka MSALLAMOVÁ a Alena MICHALCOVÁ. Combined theoretical and experimental study of Fe-Sn intermetallic phases. In 8th Users´ Conference of IT4Innovations, IT4Innovations National Supercomputing Center. 2024.

VŠIANSKÁ, Monika; Jana PAVLŮ a Mojmír ŠOB. Defect-induced properties of MoSi2/Nb(Ta)Si2 disilicide nanocomposites. Materials Today Communications. AMSTERDAM: Elsevier Science, 2024, roč. 39, JUN, s. 108584-108596. ISSN 2352-4928. Dostupné z: https://doi.org/10.1016/j.mtcomm.2024.108584.

VŠIANSKÁ, Monika; Jana PAVLŮ a Mojmír ŠOB. Effect of vacancies and impurities on properties of MoSi2/TiSi2 disilicide nanocomposites. In The 11th International Conference on Multiscale Materials Modeling (MMM11). 2024.

MIKŠÍK, Dávid; Ondřej ZOBAČ a Jana PAVLŮ. Experimental investigation and thermodynamic description of selenium‐based systems. In CALPHAD LI. 2024.

BERECOVÁ, Valentína; Martin FRIÁK; Naděžda PIZÚROVÁ a Jana PAVLŮ. First-principles study of complex ferrimagnetic states in maghemite-related nanoparticles. In The 11th International Conference on Multiscale Materials Modeling (MMM11), Prague, Czech Republic. 2024.

FRIÁK, Martin; Petr ČÍPEK; Jana PAVLŮ; Ondřej ZOBAČ; Pavla ROUPCOVÁ; Ivana MIHÁLIKOVÁ; David HOLEC; Šárka MSALLAMOVÁ a Alena MICHALCOVÁ. First-principles study of structure-property relations in Pb-supersaturated Sn-rich Pb-Sn alloys. In 33rd International Conference on Metallurgy and Materials (METAL 2024). 2024.

BERECOVÁ, Valentína; Martin FRIÁK; Naděžda PIZUROVÁ a Jana PAVLŮ. Quantum mechanical analysis of complex ferrimagnetic states in iron oxide nanoparticles. In 8th Users´ Conference of IT4Innovations, IT4Innovations National Supercomputing Center. 2024.

FRIAK, Martin; Petr ČÍPEK; Jana PAVLŮ; Pavla ROUPCOVA; Ivana MIHALIKOVA; Sarka MSALLAMOVA a Alena MICHALCOVA. QUANTUM-MECHANICAL STUDY OF INTERNAL STRUCTURAL TRANSFORMATIONS IN Pb-SUPERSATURATED Pb-Sn ALLOYS. Online. In 15TH INTERNATIONAL CONFERENCE ON NANOMATERIALS-RESEARCH & APPLICATION, NANOCON 2023. OSTRAVA: TANGER LTD, 2024, s. 15-21. ISBN 978-80-88365-15-0. Dostupné z: https://doi.org/10.37904/nanocon.2023.4749.

ČÍPEK, Petr; Martin FRIÁK a Jana PAVLŮ. Quantum-mechanical study of phonon contributions to stability of Pb-Sn alloy. In The 11th International Conference on Multiscale Materials Modeling (MMM11). 2024.

ČÍPEK, Petr; Martin FRIÁK a Jana PAVLŮ. Quantum-mechanical study of phonon contributions to stability of Pb-Sn alloys. In 33rd International Conference on Metallurgy and Materials (METAL 2024). 2024.

FRIÁK, Martin; Petr ČÍPEK; Pavla ROUPCOVÁ; Oldřich SCHNEEWEISS; Jana PAVLŮ; Dominika FINK; šárka MSALLAMOVÁ a Alena MICHALCOVÁ. Quantum-mechanical study of the impact of thermal vibrations on the stability of the FeSn2 intermetallics. In NANOCON. 2024.

FRIAK, M.; Petr ČÍPEK; Jana PAVLŮ; O. ZOBAČ; P. ROUPCOVÁ; I. MIHALIKOVÁ; D. HOLEC; S. MSALLAMOVÁ a A. MICHALCOVÁ. Structure-Property Relations in Pb-Supersaturated Metastable Sn-Rich Pb-Sn Alloys. METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE. NEW YORK: SPRINGER, 2024, roč. 55, č. 6, s. 1867-1877. ISSN 1073-5623. Dostupné z: https://doi.org/10.1007/s11661-024-07362-3.

NGUYEN, Hoa Hong; Martin FRIÁK; Petr PAZOUREK; Sy Nguyen PHAM; Quynh Nhu Thi TRAN; Michal KIABA; Kristýna GAZDOVÁ a Jana PAVLŮ. 2D nature of magnetic states at SnO2 surfaces: a combined experimental and theoretical study. RSC Advances. Royal Society of Chemistry, 2024, roč. 14, č. 19, s. 13583-13590. ISSN 2046-2069. Dostupné z: https://doi.org/10.1039/d4ra00734d.

MIKŠÍK, Dávid; Jana PAVLŮ a Ondřej ZOBAČ. An investigation of phase behavior in the Co-Se-Sn ternary system using experiments and thermodynamic modeling. In 3rd Journal of Thermal Analysis and Calorimetry Conference and 9th V4 (Joint Czech-Hungarian-Polish-Slovakian) Thermoanalytical Conference. 2023.

FRIÁK, Martin; Jaroslav DRGOŇA; Jan FIKAR; Petr ŠESTÁK a Jana PAVLŮ. Competition of volumetric and surface-related energy contributions in phase transformations in Sn: an ab-initio and machine-learned-potential study. In AI MSE 2023 (Artifitial Intelligence in Material Science and Engineering). 2023.

FRIÁK, Martin; Quynh Nhu Thi TRAN; Kristýna GAZDOVÁ; Jana PAVLŮ; Dominik MUNZAR a Hoa Hong NGUYEN. Magnetism in TiO2 from ab initio perspective. In Accelerated Discovery of New Materials (Wilhelm and Else Heraeus-Foundation – Seminar, Psi-k). 2023.

FRIÁK, Martin; Petr ČÍPEK; Jana PAVLŮ; Ondřej ZOBAČ; Pavla ROUPCOVÁ; Ivana MIHÁLIKOVÁ; David HOLEC; Šárka MSALLAMOVÁ a Alena MICHALCOVÁ. Structure-property relations in Pb-supersaturated Sn-rich Pb-Sn alloys. In NANOCON. 2023.

VŠIANSKÁ, Monika; Jana PAVLŮ a Mojmír ŠOB. Theoretical study of MoSi2/TiSi2 disilicide nanocomposites with vacancies and impurities. Surfaces and Interfaces. Amsterdam: Elsevier Science, 2023, roč. 42, NOV, s. 103428-103441. ISSN 2468-0230. Dostupné z: https://doi.org/10.1016/j.surfin.2023.103428.

FRIÁK, Martin; Quynh Nhu Thi TRAN; Mojmír MEDUŇA; Kristýna GAZDOVÁ; Jana PAVLŮ; Dominik MUNZAR a Hoa Hong NGUYEN. Vacancy-induced magnetic states in TiO2 surfaces. Journal of Applied Physics. AIP Publishing, 2023, roč. 134, č. 1, s. "013902-1"-"013902-11", 11 s. ISSN 0021-8979. Dostupné z: https://doi.org/10.1063/5.0155282.

FRIÁK, Martin; Kristýna GAZDOVÁ; Quynh Nhu Thi TRAN; Mojmír MEDUŇA; Jana PAVLŮ; Dominik MUNZAR a Hoa Hong NGUYEN. Vacancy-induced magnetism in TiO2 thin films. In NANOCON. 2023.

FRIÁK, Martin; Josef GRACIAS; Jana PAVLŮ a Mojmír ŠOB. A quantum-mechanical study of antiphase boundaries inFe2CoAl. In Tenth International Conference on Materials Structure & Micromechanics of Fracture (MSMF10). 2022. ISBN 978-80-214-6089-8.

VŠIANSKÁ, Monika; Iva RAMBOUSKOVÁ; Aneta BENEŠOVÁ a Jana PAVLŮ. Ab initio study of phase boundaries in disilicides MoSi2, NbSi2, TaSi2 and TiSi2. In Tenth International Conference on Materials Structure & Micromechanics of Fracture (MSMF10). 2022. ISBN 978-80-214-6089-8.

KOVAŘÍKOVÁ OWEIS, Sabina; Prince MATHEWS; Tilmann HICKEL; Ondřej ZOBAČ; Martin FRIÁK a Jana PAVLŮ. Modelling of tau phases in the Al-Cu-Zn system. In TOFA 2022 - Discussion Meeting on Thermodynamics of Alloys. 2022.

VŠIANSKÁ, Monika; Iva RAMBOUSKOVÁ; Aneta BENEŠOVÁ; Jana PAVLŮ a Mojmír ŠOB. Properties of MoSi2/XSi2 (X = Nb, Ta, Ti) nanocomposites from quantum-mechanical perspective. In 6th Users Conference of IT4Innovations. 2022.

FRIÁK, Martin; Martina MAZALOVÁ; Ilja TUREK; Adéla ZEMANOVÁ; Jiří KAŠTIL; Jiří KAMARÁD; Martin MÍŠEK; Zdeněk ARNOLD; Oldřich SCHNEEWEISS; Monika VŠIANSKÁ; Martin ZELENÝ; Aleš KROUPA; Jana PAVLŮ a Mojmír ŠOB. A quantum mechanical study of pressure induced changes of magnetism in austenitic stoichiometric Ni2MnSn. In Intermetallics 2021. 2021. ISBN 978-3-948023-17-1.

FRIÁK, Martin; Josef GRACIAS; Jana PAVLŮ a Mojmír ŠOB. A Quantum-Mechanical Study of Antiphase Boundaries in Ferromagnetic B2-Phase Fe2CoAl Alloy. Magnetochemistry. Basel: MDPI AG, 2021, roč. 7, č. 10, s. 1-12. ISSN 2312-7481. Dostupné z: https://doi.org/10.3390/magnetochemistry7100137.

FRIÁK, Martin; Martina MAZALOVÁ; Ilja TUREK; Adéla ZEMANOVÁ; Jiří KAŠTIL; Jiří KAMARÁD; Martin MÍŠEK; Zdeněk ARNOLD; Oldřich SCHNEEWEISS; Monika VŠIANSKÁ; Martin ZELENÝ; Aleš KROUPA; Jana PAVLŮ a Mojmír ŠOB. An Ab Initio Study of Pressure-Induced Changes of Magnetism in Austenitic Stoichiometric Ni2MnSn. Materials. Basel: MDPI, 2021, roč. 14, č. 3, s. 1-16. ISSN 1996-1944. Dostupné z: https://doi.org/10.3390/ma14030523.

ROGL, Peter Franz; Xinlin YAN; X.-Q. CHEN; Pavel BROŽ; Jan VŘEŠŤÁL; Jiří BURŠÍK; Jana PAVLŮ; Bedřich SMETANA; Gerda ROGL; Andriy GRYTSIV a Herwig MICHOR. Constitution and structural chemistry of T-Mn Systems (T = Sc to Ta). 2021.

FRIÁK, Martin; Jana PAVLŮ a Mojmír ŠOB. Impact of Disorder on Properties of Vacancies: A Case Study of B2 and A2 Polymorphs of Non-Stoichiometric Fe2CoAl. Crystals. MDPI, 2021, roč. 11, č. 10, s. 1-12. ISSN 2073-4352. Dostupné z: https://doi.org/10.3390/cryst11101207.

YAN, Xinlin; Pavel BROŽ; Jan VŘEŠŤÁL; Jiří VLACH; Jiří BURŠÍK; Martina MAZALOVÁ; Jana PAVLŮ; Bedřich SMETANA; Gerda ROGL; Markus EIBERGER; Andriy GRYTSIV; Herwig MICHOR; Herbert MÜLLER; Gerald GIESTER a Peter ROGL. On the Constitution and Thermodynamic Modeling of the Phase Diagrams Nb-Mn and Ta-Mn. Journal of Alloys and Compounds. Lausanne: Elsevier Science SA, 2021, roč. 865, June, s. "158715", 19 s. ISSN 0925-8388. Dostupné z: https://doi.org/10.1016/j.jallcom.2021.158715.

DRGOŇA, Jaroslav; Jana PAVLŮ a Mojmír ŠOB. Quantum-mechanical modelling of SiC-TiSi2 nanocomposite. In Czech-Austrian Colloquium on First-principles Modeling of Advanced Materials 2021 (CHARM 2021). 2021.

ŠOB, Mojmír; Martin FRIÁK; Petr ŠESTÁK; Petr ŘEHÁK; Martin ČERNÝ; Monika VŠIANSKÁ; Jana PAVLŮ; Ivana MIHÁLIKOVÁ; Anton SLÁVIK; Martina MAZALOVÁ; Vojtěch KOPECKÝ; Nikola KOUTNÁ; David NEZVAL a Eliška KOHOUTKOVÁ. Structure and properties of novel nanocomposites formed by intermetallic compounds. In Vondrak, Vit; Kozubek, Tomas; Jansik, Branislav. Supercomputing in Science and Engineering 2019–2020. Ostrava: VSB – Technical University of Ostrava, 2021, s. 79-82. 1. ISBN 978-80-248-4567-8.

ZOBAČ, Ondřej; Kateřina BUCHLOVSKÁ; Jana PAVLŮ a Aleš KROUPA. Thermodynamic description of binary system nickel-selenium. Journal of phase equilibria and diffusion. Springer, 2021, roč. 42, č. 4, s. 468-478. ISSN 1547-7037. Dostupné z: https://doi.org/10.1007/s11669-021-00906-9.

MAZALOVÁ, Martina; Monika VŠIANSKÁ; Jana PAVLŮ a Mojmír ŠOB. The Effect of Vacancies on Grain Boundary Segregation in Ferromagnetic fcc Ni. Nanomaterials. Basel: MDPI, 2020, roč. 10, č. 4, s. 1-40. ISSN 2079-4991. Dostupné z: https://doi.org/10.3390/nano10040691.

VŘEŠŤÁL, Jan; Pavel BROŽ; Jiří VLACH; František ZELENKA; Jana PAVLŮ; Martina MAZALOVÁ; Adéla ZEMANOVÁ; Bedřich SMETANA; Xinlin YAN a Peter Franz ROGL. Thermodynamic assessment of Mn-Nb and Mn-Ta systems. In TOFA 2020 - 17th Discussion Meeting on Thermodynamics of Alloys. 2020.

MAZALOVÁ, Martina; Monika VŠIANSKÁ; Jana PAVLŮ a Mojmír ŠOB. Ab initio study of vacancies and impurities on grain boundaries in fcc Ni. In Ninth International Conference on Materials Structure & Micromechanics of Fracture (MSMF9). 2019. ISBN 978-80-214-5760-7.

FRIÁK, Martin; Sabina KOVAŘÍKOVÁ OWEIS; Jana PAVLŮ; David HOLEC a Mojmír ŠOB. An ab initio study of thermodynamic and mechanical stability of Heusler-based Fe2CoAl polymorphs. In Ninth International Conference on Materials Structure & Micromechanics of Fracture (MSMF9). 2019. ISBN 978-80-214-5760-7.

FRIÁK, Martin; Vilma BURŠÍKOVÁ; Nadezda PIZUROVA; Jana PAVLŮ; Yvonna JIRASKOVA; Vojtěch HOMOLA; Ivana MIHÁLIKOVÁ; Anton SLÁVIK; David HOLEC; Monika VŠIANSKÁ; Nikola KOUTNÁ; Jan FIKAR; Dusan JANICKOVIC; Mojmír ŠOB a Jorg NEUGEBAUER. Elasticity of Phases in Fe-Al-Ti Superalloys: Impact of Atomic Order and Anti-Phase Boundaries. CRYSTALS. BASEL: MDPI, 2019, roč. 9, č. 6, s. 1-16. ISSN 2073-4352. Dostupné z: https://doi.org/10.3390/cryst9060299.

MAZALOVÁ, Martina; Monika VŠIANSKÁ; Jana PAVLŮ a Mojmír ŠOB. Interactions of lattice defects in fcc Ni - an ab initio study. In Czech-Austrian Colloquium on First-principles Modeling of Advanced Materials 2019 (CHARM 2019). 2019.

PAVLŮ, Jana; Martina MAZALOVÁ; Sabina KOVAŘÍKOVÁ OWEIS; Martin FRIÁK; Monika VŠIANSKÁ a Mojmír ŠOB. Modelling of lattice defects in advanced materials. In 3rd Users Conference of IT4Innovations. 2019.

PAVLŮ, Jana; Jan VŘEŠŤÁL; Urszula D. WDOWIK a Mojmír ŠOB. Modelling of phase equilibria in the Hf-V system below room temperature. In International Workshop on Laves Phases. 2019.

KROUPA, A.; Jana PAVLŮ a Mojmír ŠOB. Professor Jan Vřešťál and His Contributions Towards the Implementing of Ab Initio Data into the CALPHAD Method and Extension of the Phase Diagram Calculations Down to 0 K. Journal of Phase Equilibria and Diffusion. NEW YORK: SPRINGER, 2019, roč. 40, č. 1, s. 3-9. ISSN 1547-7037. Dostupné z: https://doi.org/10.1007/s11669-018-0704-6.

KOVAŘÍKOVÁ OWEIS, Sabina; Martin FRIÁK; Jana PAVLŮ a Mojmír ŠOB. Properties of Heusler-based Fe2AlCo phases from ab initio perspective. In Czech-Austrian Colloquium on First-principles Modeling of Advanced Materials 2019 (CHARM 2019). 2019.

FRIÁK, Martin; Yvonna JIRÁSKOVÁ; David HOLEC; Nikola KOUTNÁ; Ivana MIHÁLIKOVÁ; Anton SLÁVIK; Naděžda PIZÚROVÁ; Ferdinand DOBEŠ; Petr DYMÁČEK; Petr ŠESTÁK; Jan FIKAR; Sabina KOVAŘÍKOVÁ OWEIS; Monika VŠIANSKÁ; Jana PAVLŮ; Vilma BURŠÍKOVÁ; Jörg NEUGEBAUER a Mojmír ŠOB. Quantum-mechanical study of Fe-Al-based intermetallic compounds. In Intermetallics 2019. 2019. ISBN 978-3-948023-07-2.

VŠIANSKÁ, Monika; Jana PAVLŮ a Mojmír ŠOB. Theoretical study of disilicide nanocomposites with vacancies and impurities. In Ninth International Conference on Materials Structure & Micromechanics of Fracture (MSMF9). 2019. ISBN 978-80-214-5760-7.

VŘEŠŤÁL, Jan; Jana PAVLŮ a Mojmír ŠOB. Thermodynamic modelling of Laves phases in chromium-based systems below room temperature using ab initio results. In International Workshop on Laves Phases. 2019.

ŠOB, Mojmír; Martin FRIÁK; Petr ŠESTÁK; Petr ŘEHÁK; Miroslav ČERNÝ; Monika VŠIANSKÁ; Jana PAVLŮ; Ivana MIHÁLIKOVÁ; Anton SLÁVIK; Martina MAZALOVÁ; Vojtěch KOPECKÝ a Nikola KOUTNÁ. THERMODYNAMIC STABILITY AND ELASTIC PROPERTIES OF Fe-Al-BASED SUPERALLOYS. In Karina Pešatová, Barbora Poláková, John Cawley, Zuzana Červenková. SUPERCOMPUTING IN SCIENCE AND ENGINEERING 2017–18. 1. vyd. Ostrava: VSB – Technical University of Ostrava, 2019, s. 106-109. ISBN 978-80-248-4289-9.

FRIÁK, Martin; Sabina KOVAŘÍKOVÁ OWEIS; Jana PAVLŮ; David HOLEC a Mojmír ŠOB. A quantum-mechanical study of thermodynamic and mechanical stability of Heusler-based Fe2AlCo polymorphs. In 10th Anniversary International Conference on Nanomaterials – Research & Application (NANOCON 2018). 2018. ISBN 978-80-87294-85-7.

FRIÁK, Martin; Sabina OWEISOVÁ; Jana PAVLŮ; David HOLEC a Mojmír ŠOB. An ab initio study of thermodynamic and mechanical stability of Heusler-based Fe2AlCo polymorphs. Materials. Basel: MDPI AG, 2018, roč. 11, č. 9, s. 1543-1554. ISSN 1996-1944. Dostupné z: https://doi.org/10.3390/ma11091543.

FRIÁK, Martin; Yvonna JIRÁSKOVÁ; Ivana MIHÁLIKOVÁ; Anton SLÁVIK; Andrii TITOV; Naďa PIZŮROVÁ; Jana PAVLŮ; Ferdinand DOBEŠ; Petr DYMÁČEK; Monika VŠIANSKÁ; David HOLEC; Nikola KOUTNÁ; Sabina KOVAŘÍKOVÁ OWEIS; Vilma BURŠÍKOVÁ; Martin PALM; Joerg NEUGEBAUER; Dušan JANIKOVIČ a Mojmír ŠOB. Combined theoretical and experimental study of Fe-Al-based nanocomposites. In Ab initio Description of Iron and Steel (ADIS 2018): Thermodynamics, Kinetics and Defects. 2018.

MAZALOVÁ, Martina; Jana PAVLŮ; Monika VŠIANSKÁ a Mojmír ŠOB. First-principles modelling of grain boundaries in fcc Ni combined with other defects. In Ab initio Description of Iron and Steel (ADIS 2018): Thermodynamics, Kinetics and Defects. 2018.

MAZALOVÁ, Martina; Jana PAVLŮ; Monika VŠIANSKÁ a Mojmír ŠOB. Lattice defects in fcc Ni from ab initio perspective. In PISACMS2018: Paris International School on Advanced Computational Materials Science. 2018.

PAVLŮ, Jana; Martina MAZALOVÁ; Monika VŠIANSKÁ a Mojmír ŠOB. Lattice defects in fcc Ni from the ab initio perspective. In MSE2018 - Materials Science and Engineering. 2018.

VŘEŠŤÁL, Jan; Pavel BROŽ; Jana PAVLŮ; Martina MAZALOVÁ; Bedřich SMETANA; Xiaojin YAN a Peter Franz ROGL. Thermodynamic modelling of Mn-Nb and Mn-Ta systems. In Calphad XLVII conference. 2018.

VŘEŠŤÁL, Jan; Jana PAVLŮ; Urszula WDOWIK a Mojmír ŠOB. Modelling of phase equilibria in the Hf-V system below room temperature. Journal of Mining and Metallurgy, Section B: Metallurgy. 2017, roč. 53, č. 3, s. 239-247. ISSN 1450-5339. Dostupné z: https://doi.org/10.2298/JMMB170704032V.

PAVLŮ, Jana; Jan VŘEŠŤÁL; Urszula D. WDOWIK a Mojmír ŠOB. Remodelling of Hf-V system. In CALPHAD XLVI. 2017.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Remodelling of the Hf-V system. In 14th International Symposium on Physics of Materials (ISPMA 14). 2017.

FRIÁK, Martin; Holec DAVID; Yvonna JIRÁSKOVÁ; Martin PALM; Frank STEIN; Dušan JANIČKOVIČ; Naďa PIZŮROVÁ; Petr DYMÁČEK; Ferdinand DOBEŠ; Petr ŠESTÁK; Jan FIKAR; Jiří ŠREMR; Luděk NECHVÁTAL; Sabina OWEISOVÁ; Vojtěch HOMOLA; Andrii TITOV; Anton SLÁVIK; Ivana MIHÁLIKOVÁ; Jana PAVLŮ; Vilma BURŠÍKOVÁ; Joerg NEUGEBAUER; Damien BOUTUR; Yuri LAPUSTA a Mojmír ŠOB. Theory-guided design of novel Fe-Al-based superalloys. In M. Heilmaier, M. Krüger, S. Mayer, M. Palm, F. Stein. Proceedings Intermetallics 2017. 2017. vyd. Jena, Germany: Conventus Congressmanagement & Marketing GmbH, 2017, s. 123-125. ISBN 978-3-9816508-9-1.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Ab initio study of energetics and magnetism of sigma phase in Co-Mo and Fe-Mo systems. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING. BRISTOL, UK: IOP PUBLISHING LTD, 2016, roč. 24, č. 2, s. nestránkováno, 20 s. ISSN 0965-0393. Dostupné z: https://doi.org/10.1088/0965-0393/24/2/025009.

KHAN, Atta Ullah; Pavel BROŽ; Milena PREMOVIC; Jana PAVLŮ; Jan VŘEŠŤÁL; Xin-Lin YAN; Daniele MACCIO; Adriana SACCONE; Gerald GIESTER a Peter Franz ROGL. The Ti-Mn system revisited: experimental investigation and thermodynamic modelling. Physical Chemistry Chemical Physics. Cambridge: Royal Society of Chemistry, 2016, roč. 18, č. 33, s. 23326-23339. ISSN 1463-9076. Dostupné z: https://doi.org/10.1039/c6cp04542a.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Thermodynamic modelling of sigma phase using ab initio results. In CALPHAD XLV. 2016.

BROŽ, Pavel; Milena PREMOVIC; Jan VŘEŠŤÁL; Jana PAVLŮ a Peter Franz ROGL. Thermodynamic modelling of the Ti-Mn-N system in view of a new thermodynamic description for the Ti-Mn system. In TOFA 2016 - Discussion Meeting on Thermodynamics of Alloys. 2016.

PAVLŮ, Jana; Jan VŘEŠŤÁL; Pavel BROŽ; Martina MAZALOVÁ a Mojmír ŠOB. Ab Initio and CALPHAD Modelling of Laves and Sigma Phases. In International Workshop - Novel Approaches in Condensed Matter Physics. 2015.

PAVLŮ, Jana; Jan VŘEŠŤÁL; Pavel BROŽ; Martina MAZALOVÁ a Mojmír ŠOB. Ab initio and CALPHAD modelling of Laves phases in Mn-based systems. In 15 ECSSC, August 23-26 2015, Vienna, Austria. 2015.

PAVLŮ, Jana; Jan VŘEŠŤÁL; Urszula, D. WDOWIK a Mojmír ŠOB. Ab initio based thermodynamic modeling below room temperature: Hf-V system. In CALPHAD XLIV, Loano, Italy. 2015.

VŘEŠŤÁL, Jan; Jana PAVLŮ a Mojmír ŠOB. Ab initio calculated energy of formation of chromium Laves phases in phase equilibrium calculations. In 15th ECSSC, 2015, Vienna, Austria. 2015.

VŘEŠŤÁL, Jan; Jana PAVLŮ; Mojmír ŠOB; Martin ZOUHAR a Petr ŘEHÁK. Combined quantum-mechanical and Calphad approach to description of heat capacity below room temperature. In CALPHAD XLIV, Loano, Italy. 2015.

PAVLŮ, Jana; Petr ŘEHÁK; Jan VŘEŠŤÁL a Mojmír ŠOB. Combined quantum-mechanical and Calphad approach to description of heat capacity of pure elements below room temperature. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2015, roč. 51, December, s. 161-171. ISSN 0364-5916. Dostupné z: https://doi.org/10.1016/j.calphad.2015.08.006.

VŘEŠŤÁL, Jan; Jana PAVLŮ; Mojmír ŠOB; Martin ZOUHAR a Petr ŘEHÁK. Combined quantum-mechanical and continuum approach to description of heat capacity below room temperatures. In "APDIC" Phase Diagram Conference, Miskolc, Hungary. 2015.

PAVLŮ, Jana; Jan VŘEŠŤÁL; Pavel BROŽ; Martina MAZALOVÁ; Peter Franz ROGL a Mojmír ŠOB. Modelling in Mn-based systems. In Intermetallics 2015, Bad Staffelstein, Germany, 2015. 2015.

ZOUHAR, Martin; Petr ŘEHÁK; Mojmír ŠOB; Jana PAVLŮ a Jan VŘEŠŤÁL. Phonons and heat capacities of Pb and Cd from first principles. In CALPHAD XLIV, Loano, Italy. 2015.

PAVLŮ, Jana; Jan VŘEŠŤÁL; Mojmír ŠOB a Petr ŘEHÁK. Thermodynamic modelling at low temperatures: Combined ab initio, semiempirical and experimental approach. In Intermetallics 2015, Bad Staffelstein, Germany, 2015. 2015.

BROŽ, Pavel; Jan VŘEŠŤÁL; Jana PAVLŮ a Peter Franz ROGL. Thermodynamic re-assessment of the Mn-Ti system as a basis for thermodynamic prediction of the Mn-Ti-N system. In CALPHAD XLIV. 2015.

VŘEŠŤÁL, Jan; Jana PAVLŮ a Mojmír ŠOB. Aplication of ab initio calculated energy of formation of chromium Laves phases in phase diagram calculations. 2014.

VŘEŠŤÁL, Jan; Jan ŠTROF; Jana PAVLŮ; Urszula WDOWIK; Jiří BURŠÍK a Mojmír ŠOB. Extension of Gibbs Energy Data for Pure Elements to Zero Kelvin Temperature. In 13th International Symposium on Physics of Materials (ISPMA 13). 2014.

VŘEŠŤÁL, Jan; Jana PAVLŮ; Urszula WDOWIK a Mojmír ŠOB. Extension of Gibbs energy data to zero Kelvin temperature: System Hf-V. In 14th Discussion Meeting on Thermodynamics of Alloys-TOFA 2014. 2014.

ŠTROF, Jan; Jana PAVLŮ; Urszula D. WDOWIK; Jiří BURŠÍK; Mojmír ŠOB a Jan VŘEŠŤÁL. Laves phase in the V-Zr system below room temperature: Stability analysis using ab initio results and phase diagram. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY. Oxford: Elsevier Science, 2014, roč. 44, March, s. 62-69. ISSN 0364-5916. Dostupné z: https://doi.org/10.1016/j.calphad.2013.08.003.

PAVLŮ, Jana; Jan VŘEŠŤÁL; Radim PETŘÍČEK; Martina MAZALOVÁ; Mojmír ŠOB a Petr ROGL. Stability of Laves Phase in the Mn-Ta system. In Konference CALPHAD XLIII. 2014.

VŘEŠŤÁL, Jan; Jana PAVLŮ; Uršula WDOWIK a Mojmír ŠOB. Thermodynamic modeling below room temparature: Hf-V system. In Konference CALPHAD XLIII. 2014.

PAVLŮ, Jana; Jan VŘEŠŤÁL; Radim PETŘÍČEK; Martina MAZALOVÁ; Mojmír ŠOB a Peter ROGL. Thermodynamic modeling in Mn-Ta system. In 14th Discussion Meeting on Thermodynamics of Alloys-TOFA 2014. 2014.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Urszula D. WDOWIK. Thermodynamic modelling and phonon calculations. In 4th Workshop on ab initio phonon calculations. 2014.

KROUPA, Aleš; Jan VŘEŠŤÁL; Milan SVOBODA; Adéla ZEMANOVÁ; Pavel BROŽ; Jiří SOPOUŠEK; Jana PAVLŮ a Mojmír ŠOB. 14th Discussion Meeting on Thermodynamics of Alloys - TOFA 2014. 2014.

VŘEŠŤÁL, Jan; Jan ŠTROF; Jana PAVLŮ; Ursula WDOWIK; Jiří BURŠÍK a Mojmír ŠOB. Thermodynamic modeling below room temparature: the V-Zr system. 2013.

PAVLŮ, Jana a Mojmír ŠOB. AB Initio Study of C14 Laves Phases In Fe-Based Systems. Journal of Mining and Metallurgy. Bor, Serbia: Faculty of Metallurgy, Bor, 2012, roč. 48, č. 3, s. 395-401. ISSN 1450-5339. Dostupné z: https://doi.org/10.2298/JMMB120704050P.

ŠOB, Mojmír; Aleš KROUPA; Jana PAVLŮ a Jan VŘEŠŤÁL. Application of Ab Initio Results in Modeling Phase Diagrams Containing Complex Phases. Journal of Solid Mechanics and Materials Engineering. Tokyo, Japan: The Japan Society of Mechanical Engine, 2012, roč. 6, č. 1, s. 39-47. ISSN 1880-9871. Dostupné z: https://doi.org/10.1299/jmmp.6.39.

LEGUT, Dominik a Jana PAVLŮ. Electronic structure and elasticity of Z-phases in the Cr–Nb–V–N system. J. Phys. Condens. Matter. Bristol: IOP Publishing Ltd, 2012, roč. 24, č. 19, s. "nestránkováno", 8 s. ISSN 0953-8984. Dostupné z: https://doi.org/10.1088/0953-8984/24/19/195502.

VŘEŠŤÁL, Jan; Jan ŠTROF a Jana PAVLŮ. Extension of SGTE data for pure elements to zero Kelvin temperature - A case study. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2012, roč. 37, Jun, s. 37-48. ISSN 0364-5916. Dostupné z: https://doi.org/10.1016/j.calphad.2012.01.003.

MESCHEL, S.V.; Jana PAVLŮ a P. NASH. The thermochemical behavior of some binary shape memory alloys by high temperature direct synthesis calorimetry. Journal of Alloys and Compounds. Elsevier, 2011, roč. 509, č. 17, s. 5256-5262. ISSN 0925-8388. Dostupné z: https://doi.org/10.1016/j.jallcom.2011.01.152.

PAVLŮ, Jana; Jan VŘEŠŤÁL; X.-Q. CHEN a Peter Franz ROGL. Thermodynamic modeling of Laves phases in the Ta-V system: Reassessment using first-principles results. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2011, roč. 35, č. 1, s. 103-108. ISSN 0364-5916. Dostupné z: https://doi.org/10.1016/j.calphad.2010.12.002.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Ab Initio Study of Formation Energy and Magnetism of Sigma Phase in Cr-Fe and Cr-Co Systems. Intermetallics. Netherlands: Elsevier, 2010, roč. 18, č. 2, s. 212-220. ISSN 0966-9795.

PAVLŮ, Jana; Jan VŘEŠŤÁL; X.-Q. CHEN a Petr ROGL. First-principles study and thermodynamic modelling of Laves phases in the Ta-V system. In TOFA 2010 (Thermodynamics of Alloys 2010). 2010.

PAVLŮ, Jana; Jan VŘEŠŤÁL; X.-Q. CHEN a Petr ROGL. Stability of Laves phases in the Ta-V system. In CALPHAD XXXIX. 2010.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Thermodynamic modeling of Laves phases in the Cr-Hf and Cr-Ti systems: Reassessment using first-principles results. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2010, roč. 34, č. 2, s. 215-221. ISSN 0364-5916. Dostupné z: https://doi.org/10.1016/j.calphad.2010.03.003.

ŠOB, Mojmír; Aleš KROUPA; Jana PAVLŮ a Jan VŘEŠŤÁL. Application of Ab Initio Electronic Structure Calculations in Construction of Phase Diagrams of Metallic Systems with Complex Phases. Solid State Phenomena. Switzerland: Trans Tech Publications, 2009, roč. 150, č. 1, s. 1-28. ISSN 1012-0394. Dostupné z: https://doi.org/10.4028/www.scientific.net/SSP.150.1.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Energetics and magnetism of Cr-based sigma phases. In CALPHAD XXXVIII. 2009.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Magnetism in Cr-based Sigma Phases. In 13th Austrian Chemistry Days, Vienna, Austria, 24.-27.8.2009. 2009.

VŘEŠŤÁL, Jan; Jana PAVLŮ a Mojmír ŠOB. Multiscale modeling of stability of intermetallic phases and thermodynamic study of solutions and nanoparticles. In Seminář v Korea Advanced Institute of Science and Technology, Daejeon, Korea. 2009.

VŘEŠŤÁL, Jan; Jana PAVLŮ a Mojmír ŠOB. Multiscale Modeling of the Stability of Intermetallic Phases. In The Korean Institute of Metals and Materials, 2009 Fall Conference. 2009.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Phase Equilibria with Laves Phases in the Cr-Ti and Cr-Hf systems. In 13th Austrian Chemistry Days 2009. 2009.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Recent progress in using of ab initio calculations for determination of stability of Cr-containing Laves phases. In XI.Workshop of the Associated Phase Diagram and Thermodynamic Committee (APDTC), Ljubljana, Slovenija. 2009.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Re-modeling of Laves phases in the Cr-Nb and Cr-Ta systems using first-principles results. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2009, roč. 33, č. 1, s. 179-186. ISSN 0364-5916.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Stability of Cr-containing Laves phases. In Euromat, Glasgow, Velká Británie, 7.-10.9.2009. 2009.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Stability of Laves phases in the Cr-Ti and Cr-Hf systems. In CALPHAD XXXVIII. 2009.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Stability of Laves phases in the Cr-Zr system. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2009, roč. 33, č. 2, s. 382; 387, 6 s. ISSN 0364-5916.

PAVLŮ, Jana. Laves Phases with Zirconium and Chromium. In VIII. Pracovní setkání fyzikálních chemiků a elektrochemiků - sborník příspěvků. 1. vyd. Brno: Masarykova univerzita, 2008, s. 79-80. ISBN 978-80-210-4525-5.

PAVLŮ, Jana a Jan VŘEŠŤÁL. Multiscale Modelling of Stability of Laves Phases in Cr-Zr System. In A mid-time Conference of COST Action P19: Multiscale Modelling of Materials. 2008. ISBN 978-80-254-2282-3.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Phase Equilibria in Chromium-based Laves Phases. In CALPHAD XXXVII. 2008.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Stabilita chromových Lavesových fází. In VIII. Pracovní setkání fyzikálních chemiků a elektrochemiků - sborník příspěvků. 1. vyd. Brno: Masarykova univerzita, 2008, s. 107-107. ISBN 978-80-210-4525-5.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Stability of Laves phase polytypes in Cr-Zr system. In 11th International Symposium on Physics of Materials, ISPMA11. 2008.

PAVLŮ, Jana a Jan VŘEŠŤÁL. Stability of Laves phases in Cr-Zr system. In SCTE 2008. 2008.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Structure Stability of Chromium-Laves Phases. In TOFA 2008. 2008.

KROUPA, Aleš; Dominik LEGUT a Jana PAVLŮ. The Calphad and Ab-Initio modelling of intermetallic phases in ternary systems. In CALPHAD XXXVII. 2008.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Ab initio and thermodynamic study of Ta- and Nb-Cr Laves phases. In European Congress on Advanced Materials and Processes - EUROMAT 2007. Frankfurt am Main (Germany): Deutsche Gesellschaft für Materialkunde, 2007, s. 93-93.

VŘEŠŤÁL, Jan; Aleš KROUPA; Adéla ZEMANOVÁ; Jana HOUSEROVÁ a Jiří PINKAS. Fázové rovnováhy v soustavách pro pájky bez olova. In Sborník přednášek: VII.Pracovní setkání fyzikálních chemiků a elektrochemiků. 1. vyd. Brno: Masarykova univerzita Brno, 2007, s. 133-134. ISBN 80-210-4235-4.

CHVÁTALOVÁ, Květuše; Jan VŘEŠŤÁL; Jana PAVLŮ a Mojmír ŠOB. First Principles Calculations of Energetics of Sigma Phase Formation and Thermodynamic Modelling in Cr-Fe-W System. Materials Science and Engineering A. Elsevier Science, 2007, roč. 462, 1-2, s. 153-158. ISSN 0921-5093.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. First-principles lattice stabilities of Laves phases in chromium alloys. In VIII International Workshop of APDTC. Bucharest (Romania): Romanian Academy, 2007, s. 3-3.

PAVLŮ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Lattice stabilities of Laves phases in chromium alloys. In CALPHAD XXXVI. Pennsylvania (USA): The Pennsylvania State university, 2007, s. 27-27.

VŘEŠŤÁL, Jan; Jana PAVLŮ a Mojmír ŠOB. Multiscale modeling of Laves phases in chromium alloys. In European Congress on Advanced Materials and Processes - EUROMAT 2007. Frankfurt am Main (Germany): Deutsche Gesellschaft für Materialkunde, 2007, s. 55-55.

PAVLŮ, Jana a Jan VŘEŠŤÁL. Multiscale modelling of stability of Laves phases. In Summer school on multiscale modelling of materials. 2007.

HOUSEROVÁ, Jana. Si-containing Laves phases. In Pracovní setkání fyzikálních chemiků a elektrochemiků /7./. 1. vyd. Brno: Masarykova univerzita, 2007, s. 65-66. ISBN 978-80-21042353.

HOUSEROVÁ, Jana a Mojmír ŠOB. Ab initio calculations of the Cr-based Laves phases. In DFTEM 2006 Conference. 1. vyd. Vienna: Editio Amici -Physicae et chimicae solidorum amici, 2006, s. 160. ISBN 3-902548-00-2.

HOUSEROVÁ, Jana a Mojmír ŠOB. Ab initio study of thermodynamics and structure of Ta-X (X=Cr, Fe, W) C14 Laves phases. In Psi-k/COST Workshop on Multiscale modeling of extended defects and phase transformations at material interfaces. 1. vyd. Wroclaw: University of Wroclaw, 2006, s. 49-49.

ŠOB, Mojmír; Jan VŘEŠŤÁL; Aleš KROUPA a Jana HOUSEROVÁ. Application of ab initio electronic structure calculations in construction of phase diagrams of complex systems. In Multiscale Materials Modeling conference /3./. Freiburg, Germany: Fraunhofer IRB Verlag, 2006, s. 877-877. ISBN 3-8167-7206-4.

VŘEŠŤÁL, Jan; Jiří PINKAS; Andrew WATSON; Andew SCOTT; Jana HOUSEROVÁ a Aleš KROUPA. Assessment of the Phase Diagram and Thermodynamic Data in the Bi-Pd System. In Lead-free Solder Materials - COST Action 531. 1. vyd. Genova, Italy: Universita degli Studi di Genova, Italy, 2006, s. 25-25.

VŘEŠŤÁL, Jan; Jiří PINKAS; Andy WATSON; Andrew SCOTT; Jana HOUSEROVÁ a Aleš KROUPA. Assessment of the thermodynamic properties and phase diagram of the Bi-Pd system. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2006, roč. 30, č. 1, s. 14-17. ISSN 0364-5916.

HOUSEROVÁ, Jana a Mojmír ŠOB. Electronic structure analysis of Laves phases containing chromium. In Pracovní setkání fyzikálních chemiků a elektrochemiků /6./. 1. vyd. Brno: Masarykova univerzita, 2006, s. 48-49. ISBN 80-210-3943-4.

HOUSEROVÁ, Jana a Mojmír ŠOB. Energetics of sigma phase formation in Mo-X (X=Co, Cr, Fe) systems. In Diffusion and Thermodynamics of Materials /IX/. Brno: IPM AS CR, 2006, s. 34. ISBN 80-239-7467-X.

VOGTENHUBER, Doris; Jana HOUSEROVÁ; Walter WOLF; Raimund PODLOUCKY; Wolfgang PFEILER a Wolfgang PÜSCHL. Ab initio calculation of point defect energies and atom migration profiles in varying surroundings in L12-ordered intermetallic compounds. Integrative and Interdisciplinary Aspects of Intermetallics, edited by Michael J. Mills, Haruyuki Inui, Helmut Clemens, and Chong-Long Fu (Mater. Res. Soc. Symp. Proc. 842, 541-546, Warrendale, PA , 2005). Warrendale, PA, 2005, roč. 2005, č. 842, s. 541-546.

HOUSEROVÁ, Jana a Mojmír ŠOB. Ab initio lattice stability in Laves phases: all-electron (WIEN) vs. pseudopotential (VASP) calculations. In CALPHAD XXXIV. 1. vyd. Utrecht: Universiteit Utrecht, 2005, s. 23-23.

HOUSEROVÁ, Jana a Mojmír ŠOB. Ab initio study of C14 Laves phase in Fe-based systems. In Sborník abstrakt ISPMA-10. 1. vyd. Praha: MFF UK Praha, 2005, s. 18-18.

HOUSEROVÁ, Jana a Mojmír ŠOB. Ab initio study of Laves phases in Fe-Cr, Fe-Mo and Fe-Ta systems. In Pracovní setkání fyzikálních chemiků a elektrochemiků /5./. 1,. Brno: Masarykova univerzita v Brně, 2005, s. 36-37. ISBN 80-210-363.

VŘEŠŤÁL, Jan; Jiří PINKAS; Andrew WATSON; Andrew SCOTT; Jana HOUSEROVÁ a Aleš KROUPA. Assessment of the Thermodynamic Properties and Phase Diagram of the Bi-Pd System. In VIII International Workshop of APDTC. 1. vyd. Krakow, Poland: Institute of Metallurgy and Materials Science PAS Krakow, Poland, 2005, s. 25-26. ISBN 83-921845-5-6.

VOGTENHUBER, Doris; Jana HOUSEROVÁ; Walter WOLF; Raimund PODLOUCKY; Wolfgang PFEILER a Wolfgang PÜSCHL. Comparative ab initio study of point defect energies and atom migration profiles in the L12-ordered intermetallic compounds Ni3Al, Ni3Ga, Pt3Ga, Pt3In. Defect and Diffusion Forum. 2005, roč. 237-240, jaro, s. 133-138. ISSN 1012-0386.

HOUSEROVÁ, Jana a Mojmír ŠOB. Energetics of complex metallic phases from ab initio calculations. In PSI-k 2005 - book of abstracts. 1. vyd. Schwäbisch Gmünd (Německo), 2005, s. 495-495.

CHVÁTALOVÁ, Květuše; Jan VŘEŠŤÁL; Jana HOUSEROVÁ a Mojmír ŠOB. First principles calculations of energetics of sigma phase formation and thermodynamic modelling in Cr-Fe-W system. In Book of abstracts of European congress on advanced materials and processes - EUROMAT. 1. vyd. Praha, 2005.

CHVÁTALOVÁ, Květuše; Jan VŘEŠŤÁL; Jana HOUSEROVÁ a Mojmír ŠOB. First Principles Sigma Phase Stability in Phase Diagram Calculation of the Cr-Fe-W system. In Sborník abstrakt ISPMA-10. 1. vyd. Praha: MFF UK Praha, 2005, s. 21-21.

HOUSEROVÁ, Jana; Jan VŘEŠŤÁL a Mojmír ŠOB. Phase diagram calculations in the Co-Mo and Fe-Mo systems using first-principles results for the sigma phase. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2005, roč. 29, č. 2, s. 133-139. ISSN 0364-5916.

VŘEŠŤÁL, Jan; Jiří PINKAS; Aleš KROUPA; Jana HOUSEROVÁ; Andrew SCOTT a Andrew WATSON. Thermodynamic Assessment of Phase Diagram of Bi-Pd System. In Sborník abstrakt. 1. vyd. Utrecht: Universiteit Utrecht, 2005, s. 40-40.

CHVÁTALOVÁ, Květuše; Jana HOUSEROVÁ; Mojmír ŠOB a Jan VŘEŠŤÁL. First-principles calculations of energetics of sigma phase formation and thermodynamic modeling in the Fe-Ni-Cr system. Journal of Alloys and Compounds. Londýn: Elsevier, 2004, roč. 378, 1-2, s. 71-74. ISSN 0925-8388.

CHVÁTALOVÁ, Květuše; Jana HOUSEROVÁ; Mojmír ŠOB a Jan VŘEŠŤÁL. First-principles calculations of energetics of sigma phase formation and thermodynamic modelling in Fe-Cr-Ni system. Journal of Alloys and Compounds. Amsterdam: Elsevier, 2004, roč. 378, -, s. 71-74, 5 s. ISSN 0925-8388.

HOUSEROVÁ, Jana; Martin FRIÁK; Mojmír ŠOB a Jan VŘEŠŤÁL. Ab initio calculations of lattice stability of sigma-phase and phase diagram in the Cr-Fe system. Computational Materials Science. Londýn: Elsevier, 2002, roč. 25, č. 4, s. 562-569. ISSN 0927-0256.

HOUSEROVÁ, Jana; Martin FRIÁK; Mojmír ŠOB a Jan VŘEŠŤÁL. Ab initio calculations of lattice stability of sigma-phase and phase diagram in the Cr-Fe system. Computational Materials Science. Oxford: Elsevier Science, 2002, roč. 2002, č. 4, s. 562-569. ISSN 0927-0256.

VŘEŠŤÁL, Jan; Jana HOUSEROVÁ a Mojmír ŠOB. Ab initio calculations of stability of phases and construction of phase diagrams. In Proceedings of VIII.Seminar Diffusion and Thermodynamics of Materials. 1. vyd. Brno: Masaryk University Brno, 2002, s. 107-110. ISBN 80-210-2934-X.

VŘEŠŤÁL, Jan; Jana HOUSEROVÁ a Mojmír ŠOB. First principles calculations of lattice stabilities of complex structures. In Proceedings of 34.International October Conference on Mining and Metallurgy. 1. vyd. Bor, Yugoslavia: University of Belgrade, Technical Faculty Bor, Yugoslavia, 2002, s. 564-569. ISBN 86-80987-17-4.

HOUSEROVÁ, Jana; Jan VŘEŠŤÁL; Martin FRIÁK a Mojmír ŠOB. Phase diagram calculation in Co-Cr system using ab initio determined lattice instability of sigma phase. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2002, roč. 26, č. 4, s. 513-522. ISSN 0364-5916.

VŘEŠŤÁL, Jan; Jana HOUSEROVÁ; Martin FRIÁK a Mojmír ŠOB. Application of first-principles calculations in phase diagram calculations. In Thermodynamics of Materials. Brno: Masaryk University, 2001, s. 61-65. Proc. of the Seminar on Thermodynamics of Material. ISBN 80-210-2702-9.

HOUSEROVÁ, Jana a Jan VŘEŠŤÁL. Porovnání modelu roztoku s asociáty a modelu iontové kapaliny pro roztoky s uspořádáním částic: Soustava Ba-O. In Difúze a termodynamika materiálů. 1. vyd. Brno: Ústav fyziky materiálů AVČR, 1998, s. 93-96. ISBN 80-214-1128-7.