Výpis publikací

TRAN, Quynh Nhu Thi, Martin FRIÁK, Ivana MIHÁLIKOVÁ, Michal KIABA a Hoa Hong NGUYEN. Profiles of oxygen and titanium point defects in ferromagnetic TiO2 films. Journal of Physics D: Applied Physics. IOP Publishing Ltd, 2024, roč. 57, č. 26, s. 1-8. ISSN 0022-3727. Dostupné z: https://dx.doi.org/10.1088/1361-6463/ad3767.

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://dx.doi.org/10.1039/d4ra00734d.

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, 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://dx.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.

MIHÁLIKOVÁ, Ivana, Martin FRIÁK, Matej PIVOLUSKA, Martin PLESCH, Martin SAIP a Mojmír ŠOB. Best-Practice Aspects of Quantum-Computer Calculations: A Case Study of the Hydrogen Molecule. MOLECULES. SWITZERLAND: MDPI, 2022, roč. 27, č. 3, s. 1-15. ISSN 1420-3049. Dostupné z: https://dx.doi.org/10.3390/molecules27030597.

MIHÁLIKOVÁ, Ivana, Matej PIVOLUSKA, Martin PLESCH, Martin FRIÁK, Daniel NAGAJ a Mojmír ŠOB. The Cost of Improving the Precision of the Variational Quantum Eigensolver for Quantum Chemistry. Nanomaterials. London: MDPI, 2022, roč. 12, č. 2, s. 1-22. ISSN 2079-4991. Dostupné z: https://dx.doi.org/10.3390/nano12020243.

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://dx.doi.org/10.3390/magnetochemistry7100137.

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.

FRIÁK, Martin, Dušan LAGO, Nikola KOUTNÁ, David HOLEC, Tomáš REBOK a Mojmír ŠOB. Multi-phase ELAStic Aggregates (MELASA) software tool for modeling anisotropic elastic properties of lamellar composites. Computer Physics Communications. Amsterdam: Elsevier, 2020, roč. 247, FEB 2020, s. 1-9. ISSN 0010-4655. Dostupné z: https://dx.doi.org/10.1016/j.cpc.2019.106863.

KOUTNÁ, Nikola, Rainer HAHN, Jakub ZÁLEŠÁK, Martin FRIÁK, Matthias BARTOSIK, Jozef KECKES, Mojmír ŠOB, Paul H. MAYRHOFER a David HOLEC. Point-defect engineering of MoN/TaN superlattice films: A first-principles and experimental study. Materials and Design. Oxford: Elsevier Ltd, 2020, roč. 186, JAN 15 2020, s. "108211", 11 s. ISSN 0264-1275. Dostupné z: https://dx.doi.org/10.1016/j.matdes.2019.108211.

POLSTEROVÁ, Svatava, Martin FRIÁK, Monika VŠIANSKÁ a Mojmír ŠOB. Quantum-Mechanical Assessment of the Energetics of Silver Decahedron Nanoparticles. Nanomaterials. Basel: MDPI, 2020, roč. 10, č. 4, s. 1-15. ISSN 2079-4991. Dostupné z: https://dx.doi.org/10.3390/nano10040767.

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.

MIHÁLIKOVÁ, Ivana, Martin FRIÁK, Nikola KOUTNÁ, David HOLEC a Mojmír ŠOB. An Ab Initio Study of Vacancies in Disordered Magnetic Systems: A Case Study of Fe-Rich Fe-Al Phases. Materials. Basel: MDPI AG, 2019, roč. 12, č. 9, s. 1-16. ISSN 1996-1944. Dostupné z: https://dx.doi.org/10.3390/ma12091430.

KOUTNÁ, Nikola, Petr ŘEHÁK, Zhuo CHEN, Matthias BARTOSIK, Markus FALLMANN, Miroslav CERNY, Zaoli ZHANG, Martin FRIÁK, Mojmír ŠOB, Paul H. MAYRHOFER a David HOLEC. Correlating structural and mechanical properties of AlN/TiN superlattice films. Scripta Materialia. Oxford: Pergamon-Elsevier Science Ltd., 2019, roč. 165, MAY 2019, s. 159-163. ISSN 1359-6462. Dostupné z: https://dx.doi.org/10.1016/j.scriptamat.2019.02.021.

ROTERS, F., M. DIEHL, P. SHANTHRAJ, P. EISENLOHR, C. REUBER, S.L. WONG, T. MAITI, A. EBRAHIMI, T. HOCHRAINER, H.O. FABRITIUS, S. NIKOLOV, Martin FRIÁK, N. FUJITA, N. GRILLI, K.G.F. JANSSENS, N. JIA, P.J.J. KOK, D. MA, F. MEIER, E. WERNER, M. STRICKER, D. WEYGAND a D. RAABE. DAMASK - The Dusseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale. Computational Materials Science. Oxford: Elsevier Science, 2019, roč. 158, FEB 15 2019, s. 420-478. ISSN 0927-0256. Dostupné z: https://dx.doi.org/10.1016/j.commatsci.2018.04.030.

KAMARAD, J., Martin FRIÁK, J. KASTIL, O. SCHNEEWEISS, Mojmír ŠOB a A. DLOUHY. Effect of high pressure on magnetic properties of CrMnFeCoNi high entropy alloy. Journal of Magnetism and Magnetic Materials. Amsterdam: Elsevier, 2019, roč. 487, OCT 1 2019, s. 1-9. ISSN 0304-8853. Dostupné z: https://dx.doi.org/10.1016/j.jmmm.2019.165333.

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://dx.doi.org/10.3390/cryst9060299.

HOLEC, David, Neda ABDOSHAHI, Mohammad DEHGHANI, Andrei V. RUBAN, Martin FRIÁK, Mojmír ŠOB a Jürgen SPITALER. Impact of Mo and disorder on diffusionless transformations in TiAl intermetallic alloys. In Intermetallics 2019. 2019. ISBN 978-3-948023-07-2.

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.

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.

MENG, Fanshun, Monika VŠIANSKÁ, Martin FRIÁK a Mojmír ŠOB. Surface-induced magnetism in intermetallics: Ni3Ge compound as a case study. Journal of Magnetism and Magnetic Materials. Amsterdam: Elsevier, 2019, roč. 474, MAR 2019, s. 273-281. ISSN 0304-8853. Dostupné z: https://dx.doi.org/10.1016/j.jmmm.2018.11.055.

MENG, Fanshun, Zhen YAO, Monika VŠIANSKÁ, Martin FRIÁK a Mojmír ŠOB. Theoretical investigations on structural, elastic, thermodynamic and electronic properties of Al3Ti and Al3V compounds in L1(2) structure under high pressure. MATERIALS RESEARCH EXPRESS. BRISTOL: IOP PUBLISHING LTD, 2019, roč. 6, č. 5, s. 1-19. ISSN 2053-1591. Dostupné z: https://dx.doi.org/10.1088/2053-1591/aafec0.

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.

POLSTEROVÁ, Svatava, Jiří SOPOUŠEK, Monika VŠIANSKÁ a Martin FRIÁK. Ab initio surface energy calculations and their application for the prediction of phase diagrams of silver, gold and nickel nanoalloys. In Nanocon 2018. 2018. ISBN 978-80-87294-85-7.

FRIÁK, Martin, M. ZELENY, Monika VŠIANSKÁ, D. HOLEC a Mojmír ŠOB. An Ab Initio Study of Connections between Tensorial Elastic Properties and Chemical Bonds in Sigma 5(210) Grain Boundaries in Ni3Si. Materials. Basel: MDPI AG, 2018, roč. 11, č. 11, s. 2263-2279. ISSN 1996-1944. Dostupné z: https://dx.doi.org/10.3390/ma11112263.

FRIÁK, Martin, D. HOLEC a Mojmír ŠOB. An ab initio study of mechanical and dynamical stability of MoSi2. Journal of Alloys and Compounds. Švýcarsko: Elsevier, 2018, roč. 746, MAY, s. 720-728. ISSN 0925-8388. Dostupné z: https://dx.doi.org/10.1016/j.jallcom.2018.01.241.

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://dx.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.

MIHÁLIKOVÁ, Ivana, Anton SLÁVIK, Martin FRIÁK, Monika VŠIANSKÁ, Nikola KOUTNÁ, D. HOLEC a Mojmír ŠOB. FIRST-PRINCIPLES STUDY OF INTERFACE ENERGIES IN Fe-Al-BASED SUPERALLOY NANOCOMPOSITES. In 9th International Conference on Nanomaterials - Research and Application (NANOCON). Ostrava: TANGER LTD, 2018, s. 69-74. ISBN 978-80-87294-81-9.

MIHÁLIKOVÁ, Ivana, Martin FRIÁK, Y. JIRASKOVA, David HOLEC, Nikola KOUTNÁ a Mojmír ŠOB. Impact of Nano-Scale Distribution of Atoms on Electronic and Magnetic Properties of Phases in Fe-Al Nanocomposites: An Ab Initio Study. Nanomaterials. Basel: MDPI, 2018, roč. 8, č. 12, s. 1059-1073. ISSN 2079-4991. Dostupné z: https://dx.doi.org/10.3390/nano8121059.

SLÁVIK, Anton, Ivana MIHÁLIKOVÁ, Martin FRIÁK, Monika VŠIANSKÁ a Mojmír ŠOB. QUANTUM-MECHANICAL STUDY OF MAGNETIC PROPERTIES OF SUPERALLOY NANOCOMPOSITE PHASE Fe2AlTi. In 9TH INTERNATIONAL CONFERENCE ON NANOMATERIALS - RESEARCH & APPLICATION (NANOCON 2017). Ostrava: TANGER LTD, 2018, s. 63-68. ISBN 978-80-87294-81-9.

FRIÁK, Martin, D. HOLEC a Mojmír ŠOB. Quantum-Mechanical Study of Nanocomposites with Low and Ultra-Low Interface Energies. Nanomaterials. Basel: MDPI, 2018, roč. 8, č. 12, s. 1057-1073. ISSN 2079-4991. Dostupné z: https://dx.doi.org/10.3390/nano8121057.

KOUTNÁ, Nikola, D. HOLEC, Martin FRIÁK, P.H. MAYRHOFER a Mojmír ŠOB. Stability and elasticity of metastable solid solutions and superlattices in the MoN-TaN system: First-principles calculations. MATERIALS & DESIGN. OXFORD: ELSEVIER SCI LTD, 2018, roč. 144, APR, s. 310-322. ISSN 0264-1275. Dostupné z: https://dx.doi.org/10.1016/j.matdes.2018.02.033.

SESTAK, P., Martin FRIÁK, D. HOLEC, Monika VŠIANSKÁ a Mojmír ŠOB. Strength and Brittleness of Interfaces in Fe-Al Superalloy Nanocomposites under Multiaxial Loading: An ab initio and Atomistic Study. Nanomaterials. Basel: MDPI, 2018, roč. 8, č. 11, s. 873-892. ISSN 2079-4991. Dostupné z: https://dx.doi.org/10.3390/nano8110873.

DEY, P., R. NAZAROV, B. DUTTA, M. YAO, M. HERBIG, Martin FRIÁK, T. HICKEL, D. RAABE a J. NEUGEBAUER. Ab initio explanation of disorder and off-stoichiometry in Fe-Mn-Al-C kappa carbides. Physical Review B. College PK: AMER PHYSICAL SOC, 2017, roč. 95, č. 10, s. 104108-104121. ISSN 2469-9950. Dostupné z: https://dx.doi.org/10.1103/PhysRevB.95.104108.

HOLEC, David, Liangcai ZHOU, Helmut RIEDL, Christian M. KOLLER, Paul H. MAYRHOFER, Martin FRIÁK, Mojmír ŠOB, Fritz KORMANN, Joerg NEUGEBAUER, Denis MUSIC, Markus A. HARTMANN a Franz D. FISCHER. Atomistic Modeling-Based Design of Novel Materials. ADVANCED ENGINEERING MATERIALS. WEINHEIM: WILEY-V C H VERLAG GMBH, 2017, roč. 19, č. 4, s. nestránkováno, 19 s. ISSN 1438-1656. Dostupné z: https://dx.doi.org/10.1002/adem.201600688.

SCHNEEWEISS, O., Martin FRIÁK, M. DUDOVA, D. HOLEC, Mojmír ŠOB, D. KRIEGNER, V. HOLY, P. BERAN, E.P. GEORGE, J. NEUGEBAUER a A. DLOUHY. Magnetic properties of the CrMnFeCoNi high-entropy alloy. Physical Review B. College PK: AMER PHYSICAL SOC, 2017, roč. 96, č. 1, s. 014437-14449. ISSN 2469-9950. Dostupné z: https://dx.doi.org/10.1103/PhysRevB.96.014437.

FRIÁK, Martin, Monika VŠIANSKÁ, David HOLEC, Martin ZELENY a Mojmír ŠOB. Tensorial elastic properties and stability of interface states associated with Sigma 5(210) grain boundaries in Ni3(Al,Si). SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS. ABINGDON: TAYLOR & FRANCIS LTD, 2017, roč. 18, č. 1, s. 273-282. ISSN 1468-6996. Dostupné z: https://dx.doi.org/10.1080/14686996.2017.1312519.

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.

POLSTEROVÁ, Svatava, Monika VŠIANSKÁ, Martin FRIÁK, Mojmír ŠOB a Jiří SOPOUŠEK. Ab Initio Study of Interfaces in Ag and Ni Decahedron Nanoparticles. In NANOCON 2016 LIST OF ABSTRACTS. 8th International Conference on Nanomaterials - Research & Application. 2016. ISBN 978-80-87294-68-0.

POLSTEROVÁ, Svatava, Monika VŠIANSKÁ, Martin FRIÁK a Jiří SOPOUŠEK. Ab initio study of surface of nanoparticles Ag and Ni. In XVI. Workshop of Physical Chemists and Electrochemists. Brno: Ústav chemie Přírodovědecká fakulta MU, 2016, s. 190-193. ISBN 978-80-210-8267-0.

FABRITIUS, Helge-Otto, Andreas ZIEGLER, Martin FRIÁK, Svetoslav NIKOLOV, Julia HUBER, Bastian H. M. SEIDL, Sukhum RUANGCHAI, Francisca I. ALAGBOSO, Simone KARSTEN, Jin LU, Anna M. JANUS, Michal PETROV, Li-Fang ZHU, Pavlína HEMZALOVÁ, Sabine HILD, Dierk RAABE a Joerg NEUGEBAUER. Functional adaptation of crustacean exoskeletal elements through structural and compositional diversity: a combined experimental and theoretical study. BIOINSPIRATION & BIOMIMETICS. BRISTOL: IOP PUBLISHING LTD, 2016, roč. 11, č. 5, s. nestránkováno, 25 s. ISSN 1748-3182. Dostupné z: https://dx.doi.org/10.1088/1748-3190/11/5/055006.

HUTER, Claas, Martin FRIÁK, Marc WEIKAMP, Joerg NEUGEBAUER, Nigel GOLDENFELD, Bob SVENDSEN a Robert SPATSCHEK. Nonlinear elastic effects in phase field crystal and amplitude equations: Comparison to ab initio simulations of bcc metals and graphene. Physical Review B. College PK: AMER PHYSICAL SOC, 2016, roč. 93, č. 21, s. nestránkováno, 14 s. ISSN 2469-9950. Dostupné z: https://dx.doi.org/10.1103/PhysRevB.93.214105.

STŘELCOVÁ, Zora, Petr KULHÁNEK, Martin FRIÁK, Helge-Otto FABRITIUS, Michal PETROV, Joerg NEUGEBAUER a Jaroslav KOČA. The structure and dynamics of chitin nanofibrils in an aqueous environment revealed by molecular dynamics simulations. RSC Advances. Cambridge: Royal Society of Chemistry, 2016, roč. 6, č. 36, s. 30710-30721. ISSN 2046-2069. Dostupné z: https://dx.doi.org/10.1039/c6ra00107f.

HERZ, A., Martin FRIÁK, D. ROSSBERG, M. HENTSCHEL, F. THESKA, D. WANG, D. HOLEC, Mojmír ŠOB, Oldřich SCHNEEWEISS a P. SCHAAF. Facet-controlled phase separation in supersaturated Au-Ni nanoparticles upon shape equilibration. Applied Physics Letters. MELVILLE: AMER INST PHYSICS, 2015, roč. 107, č. 7, s. "nestránkováno", 5 s. ISSN 0003-6951. Dostupné z: https://dx.doi.org/10.1063/1.4928627.

SANDLOBES, S, Z PEI, Martin FRIÁK, LF ZHU, F WANG, S ZAEFFERER, D RAABE a J NEUGEBAUER. Ductility improvement of Mg alloys by solid solution: Ab initio modeling, synthesis and mechanical properties. ACTA MATERIALIA. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD, 2014, roč. 70, s. 92-104. ISSN 1359-6454. Dostupné z: https://dx.doi.org/10.1016/j.actamat.2014.02.011.

HEMZALOVÁ, Pavlína, Martin FRIÁK, Mojmír ŠOB, D. MA, A. UDYANSKY, D. RAABE a J. NEUGEBAUER. Ab initio study of thermodynamic, electronic, magnetic, structural, and elastic properties of Ni4N allotropes. Physical Review B. American Physical Society, 2013, roč. 88, č. 17, s. "nestránkováno", 13 s. ISSN 1098-0121. Dostupné z: https://dx.doi.org/10.1103/PhysRevB.88.174103.

FRIÁK, Martin, Helge-Otto FABRITIUS, Svetoslav NIKOLOV, Michal PETROV, Liverios LYMPERAKIS, Christoph SACHS, Pavlína ELSTNEROVÁ, Joerg NEUGEBAUER a Dierk RAABE. Multi-scale Modelling of a Biological Material: The Arthropod Exoskeleton. In Fratzl, P; Dunlop, JWC; Weinkamer, R. Materials Design Inspired by Nature: Function Through Inner Architecture. CAMBRIDGE: ROYAL SOC CHEMISTRY, 2013, s. 197-218. ISBN 978-1-84973-755-5. Dostupné z: https://dx.doi.org/10.1039/9781849737555-00197.

ZELENÝ, Martin, Martin FRIÁK a Mojmír ŠOB. Ab initio study of energetics and magnetism of Fe, Co, and Ni along the trigonal deformation path. Physical Review B. USA: The American Physical Society, 2011, roč. 83, č. 18, s. "184424-1"-"184424-7", 7 s. ISSN 1098-0121. Dostupné z: https://dx.doi.org/10.1103/PhysRevB.83.184424.

FRIÁK, Martin, T. HICKEL, F. KORMANN, A. UDYANSKY, Mojmír ŠOB, A. DICK, J. VON PEZOLD, D. MA, O. KIM, W.A. COUNTS, D. GEBHARDT, D. MUSIC, J. SCHNEIDER, D. RAABE a J. NEUGEBAUER. Determining the Elasticity of Materials Employing Quantum-mechanical Approaches:. STEEL RESEARCH INTERNATIONAL. 2011, roč. 82, č. 2, s. 86-100. ISSN 1611-3683. Dostupné z: https://dx.doi.org/10.1002/srin.201000264.

ELSTNEROVÁ, Pavlína, Martin FRIÁK, Tilmann HICKEL, Helge Otto FABRITIUS, Dierk RAABE, Andreas ZIEGLER, Sabine HILD a Joerg NEUGEBAUER. Enhancing mechanical properties of calcite by Mg substitutions: A quantum-mechanical study. DPG, 2011.

ELSTNEROVÁ, Pavlína, Martin FRIÁK, Mojmír ŠOB a Jorg NEUGEBAUER. Hledání základního stavu nitridů niklu NiN a Ni2N pomocí kvantově-mechanických výpočtů. In I. Dlouhý, J. Švejcar, M. Šob. Víceúrovňový design pokrokových materiálů 2011 (sborník doktorské konference). Brno: Ústav fyziky materiálů AV ČR, Brno, 2011, s. 27-34. ISBN 978-80-87434-04-8.

ELSTNEROVA, Pavlina, Martin FRIÁK, Helge Otto FABRITIUS, Liverios LYMPERAKIS, Tilmann HICKEL, Michal PETROV, Svetoslav NIKOLOV, Dierk RAABE, Andreas ZIEGLER, Sabine HILD a Joerg NEUGEBAUER. Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite. Acta Biomaterialia. 2010, s. 4506-4512.

FRIÁK, Martin, Michal PETROV, Svetoslav NIKOLOV, Christoph SACHS, Helge Otto FABRITIUS, Pavlína ELSTNEROVÁ, Duancheng MA, Liverios LYMPERAKIS, Dierk RAABE, Sabine HILD, Andreas ZIEGLER a Joerg NEUGEBAUER. Arthropod Cuticle: A Biological Multifunctional Composite Used As Template for Multidisciplinary Nano-To_Macro-Scale Hierarchical Modeling. In Book of Abstracts of TMS 2010 139th Annual Meeting & Exhibition. Seattle, Washington DC: Washington State Convention & Trade Center, 2010, s. 140-140.

ELSTNEROVÁ, Pavlína, Martin FRIÁK, Tilmann HICKEL, Helge Otto FABRITIUS, Dierk RAABE, Andreas ZIEGLER, Sabine HILD a Joerg NEUGEBAUER. Enhancing mechanical properties of calcite by Mg substitutions: An ab initio study. In Abstract Book of Psi_k-2010 Conference. Berlin: Fritz-Haber-Institut der Max-Planck-Gesellschaft, 2010, s. 281-281.

ELSTNEROVA, Pavlina, Martin FRIÁK, Helge Otto FABRITIUS, Tilmann HICKEL, Liverios LYMPERAKIS, Michal PETROV, Svetoslav NIKOLOV, Sabine HILD, Andreas ZIEGLER a Joerg NEUGEBAUER. Kvantově-mechanická studie zpevňování krystalů kalcitu atomy hořčíku. In Sborník doktorské konference: Víceúrovňový design pokrokových materiálů. Brno: Ústav fyziky materiálů AVČR, 2010, s. 13-20. ISBN 978-80-87434-02-4.

LEGUT, Dominik, Martin FRIÁK a Mojmír ŠOB. Phase stability, elasticity, and theoretical strength of polonium from first principles. Physical Review B. USA: The American Physical Society, 2010, roč. 81, č. 21, s. "nestrankovano", 19 s. ISSN 1098-0121. Dostupné z: https://dx.doi.org/10.1103/PhysRevB.81.214118.

ELSTNEROVÁ, Pavlína, Martin FRIÁK a Joerg NEUGEBAUER. Ab initio studie kalcitu substituovaného hořčíkem a fosforem. In Sborník doktorské konference: Víceúrovňový design pokrokových materiálů. Brno: Ústav fyziky materiálů AVČR, 2009, s. 5-12. ISBN 978-80-254-6070-2.

ŠOB, Mojmír, Dominik LEGUT a Martin FRIÁK. Šob, Legut, and Friák Reply: Reply to the Comment on Why is Polonium Simple Cubic and So Highly Anisotropic? Physical Review Letters. USA: The Americal Physical Society, 2009, roč. 102, č. 7, s. "nestrankovano", 1 s. ISSN 0031-9007. Dostupné z: https://dx.doi.org/10.1103/PhysRevLett.102.079702.

ŠOB, Mojmír a Martin FRIÁK. The effect of structural degrees of freedom on bonding and strength characteristics of molybdenum disilicide. Intermetallics. Netherlands: Elsevier, 2009, roč. 17, č. 7, s. 523-528. ISSN 0966-9795.

FRIÁK, Martin a Mojmír ŠOB. Ab initio study of the bcc-hcp transformation in iron. Physical Review B. USA: The American Physical Society, 2008, roč. 77, č. 17, s. 174117-174123. ISSN 1098-0121.

LEGUT, Dominik, Martin FRIÁK a Mojmír ŠOB. Most pressurized elements are not simple cubic. Physics Today. New York: The American Institute of Physics, 2008, roč. 61, č. 9, s. 10-11. ISSN 0031-9228.

ŠOB, Mojmír, Martin FRIÁK, Ligen WANG, Jan KURIPLACH a Václav VITEK. Rol rasčetov elektronnoj struktury iz pervych principov v sovremennom materialovedenii, časť I. Journal of Functional Materials. Moskva, Ruská federace: Nauka i technologia, 2007, roč. 1, č. 10, s. 363-367. ISSN 1994-6279.

ŠOB, Mojmír, Martin FRIÁK, Ligen WANG, Jan KURIPLACH a Václav VITEK. Rol rasčetov elektronnoj struktury iz pervych principov v sovremennom materialovedenii, časť II. Journal of Functional Materials. Moskva, Ruská federace: Nauka i technologia, 2007, roč. 1, č. 11, s. 408-418. ISSN 1994-6279.

LEGUT, Dominik, Martin FRIÁK a Mojmír ŠOB. Why is polonium simple cubic and so highly anisotropic? Physical Review Letters. USA: The Americal Physical Society, 2007, roč. 99, č. 1, s. 016402-1; 016402-4, 4 s. ISSN 0031-9007.

ŠOB, Mojmír, Dominik LEGUT, Martin FRIÁK a Jaroslav FIALA. Magnetism of Ni3Al and Fe3Al under extreme pressure and shape deformation: An ab initio study. Journal of Magnetism and Magnetic Materials. 2004, roč. 272-276, č. 1, s. e205-e206, 2 s. ISSN 0304-8853.

ŠOB, Mojmír, Martin FRIÁK, Dominik LEGUT, Jaroslav FIALA a Václav VITEK. The role of ab initio electronic structure calculations in studies of the strength of materials. Materials Science and Engineering A. Netherland, 2004, A 387-389, č. 1, s. 148-157. ISSN 0921-5093.

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.

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.

FRIÁK, Martin, Mojmír ŠOB a Václav VITEK. Ab initio calculation of phase boundaries in iron along the bcc-fcc transformation path and magnetism of iron overlayers. Physical Review B. USA: American Physical Society, 2001, roč. 2001, č. 63, s. 052405-1, 4 s. ISSN 0163-1829.

ŠOB, Mojmír, Martin FRIÁK, Ligen G. WANG a Vaclav VITEK. Ab initio calculations of theoretical tensile strength in metals and intermetalics. In Computational Modeling of Materials, Minerals, and Metals Processing. Warrendale, PA, USA: M. Cross, J.W. Evans, C. Bailey, 2001, s. 715-724. ISBN 0-87339-513-1.

FRIÁK, Martin, Mojmír ŠOB a Václav VITEK. Ab initio simulation of a tensile test in iron. In Proceedings of the International Conference Juniormat'01. Brno, Česká republika: Institute of Materials Engineering, Brno University of Technology, Brno 2001, 2001, s. 117-120. ISBN 80-214-1885-0.

FRIÁK, Martin, Mojmír ŠOB a Václav VITEK. Ab initio simulation of a tensile test in MoSi2 and WSi2. In High-Temperature Intermetallic Alloys IX,. 2001. vyd. Warrendale, PA, USA: J. H. Schneibel, K. J. Hemker, R.D. Noebe, 2001, s. N.4.8.1, 6 s. Mater. Res. Soc. Symp. Proc. vol. 646. ISBN 1-55899-556-0.

ČERNÝ, Miroslav, Jan ŠANDERA, Jaroslav POKLUDA, Martin FRIÁK a Mojmír ŠOB. AB INITIO SIMULATION OF THREE-AXIAL DEFORMATION OF PERFECT IRON CRYSTAL. In Materials structure and micromechanics of fracture Proceedings MSMF-3. VUTIM, VUT Brno: Šandera P., 2001, s. 146-150. MSMF Proceedings. ISBN 80-214-1892-3.

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.

FRIÁK, Martin, Mojmír ŠOB a Vaclav VITEK. Structure and magnetism of iron and iron overlayers from the first principles. In Proc. 3rd Int. Conf. on Materials Structure & Micromechanics of Fracture. Brno, Česká republika: P. Sandera, 2001, s. 151-159. VUTIUM, Brno University of Technology, Brno 2001. ISBN 80-214-1892-3.

LEGUT, Dominik, Martin FRIÁK a Mojmír ŠOB. The effect of spin-orbit coupling on energetics of tungsten and lead along the trigonal displacive phase transformation path. In Proceedings of the International Conference Juniormat'01. Brno, Česká republika: Institute of Materials Engineering, Brno University of Technology, Brno 2001, 2001, s. 198-201. ISBN 80-214-1885-0.

ŠOB, Mojmír, Martin FRIÁK, L.G. WANG a Václav VITEK. Ab initio study of displacive phase transformations in iron. In Proceedings of International Conference On Solid-Solid Phase Transformation '99. Sendai (Japan): M. Koiwa, T. Otsuka, T. Miyazaki, 1999, s. 855-858. vol. 12. ISBN 4-88903-401-3.

ŠOB, Mojmír, Martin FRIÁK, L.G. WANG a Václav VITEK. Ab initio study of changes in magnetism of iron during the bcc-hcp phase transformation. In MRS Symposium Proceedings. Pittsburgh (USA): V.V. Bulatov, T. Diaz de Rubia, R. Phillips, E. Kaxiras, N. Ghoniem, 1999, s. 523-527. vol. 538. ISBN 1-55899-444-0.

ŠOB, Mojmír, Martin FRIÁK, L.G. WANG a Václav VITEK. Energetics of displacive phase transformation in iron from first principles. In Proceedings 1st Meeting of the Molecular Dynamics Committee of the Japanese Society of Materials. Osaka (Japan): Y. Shibutani, 1999, s. 1-5. 48th period.