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RUB, MarquardDr. Matous Mrovec
ICAMS
Ruhr-Universität Bochum
IC 02-571
Universitätsstraße 150
44801 Bochum
Tel.: +49 234 32 29313
E-Mail: matous.mrovec@icams.rub.de
Competences
Atomistic modelling and simulation
Crystal defects
Mechanical behaviour
Hydrogen embrittlement
- S. Menon, Y. Lysogorskiy, A. Knoll, N. Leimeroth, et al.
From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows. npj Computational Materials, 10, 261, (2024) - A. Egorov, A. Kraych, M. Mrovec, R. Drautz, T. Hammerschmidt
Core structure of dislocations in ordered ferromagnetic FeCo. Physical Review Materials, 8, 093604, (2024) - M. Rinaldi, M. Mrovec, A. Bochkarev, Y. Lysogorskiy, R. Drautz
Non-collinear magnetic atomic cluster expansion for iron. npj Computational Materials, 10, 12, (2024) - S. Starikov, A. Abbass, R. Drautz, M. Mrovec
Disordering complexion transition of grain boundaries in bcc metals: Insights from atomistic simulations. Acta Materialia, 261, 119399, (2023) - E. Ibrahim, Y. Lysogorskiy, M. Mrovec, R. Drautz
Atomic cluster expansion for a general-purpose interatomic potential of magnesium. Physical Review Materials, 7, 113801, (2023) - S. Starikov, V. Jamebozorgi, D. Smirnova, R. Drautz, M. Mrovec
Atomistic simulations of pipe diffusion in bcc transition metals. Acta Materialia, 260, 119294, (2023) - Y. Liang, M. Mrovec, Y. Lysogorskiy, R. Drautz
Atomic cluster expansion for Pt-Rh catalysts: From ab initio to the simulation of nanoclusters in few steps. Journal of Materials Research, 01, 11, (2023) - M. Qamar, M. Mrovec, Y. Lysogorskiy, A. Bochkarev, R. Drautz
Atomic cluster expansion for quantum-accurate large-scale simulations of carbon. Journal of Chemical Theory and Computation, 19, 5151–5167, (2023) - Y. Lysogorskiy, A. Bochkarev, M. Mrovec, R. Drautz
Active learning strategies for atomic cluster expansion models. Physical Review Materials, 7, 043801, (2023) - S. Ramakers, A. Marusczyk, M. Amsler, T. Eckl, et al.
Effects of thermal, elastic, and surface properties on the stability of SiC polytypes. Physical Review B, 106, 075201, (2022) - S. Starikov, D. Smirnova, T. Pradhan, I. Gordeev, et al.
Angular-dependent interatomic potential for large-scale atomistic simulation of the Fe-Cr-H ternary system. Physical Review Materials, 6, 043604, (2022) - A. Bochkarev, Y. Lysogorskiy, S. Menon, M. Qamar, et al.
Efficient parametrization of the atomic cluster expansion. Physical Review Materials, 6, 013804, (2022) - L. Romaner, T. Pradhan, A. Kholtobina, R. Drautz, M. Mrovec
Theoretical investigation of the 70.5 mixed dislocations in body-centered cubic transition metals. Acta Materialia, 217, 117154, (2021) - M. Rinaldi, M. Mrovec, M. Fähnle, R. Drautz
Determination of spin-wave stiffness in the Fe-Si system using first-principles calculations. Physical Review B, 104, 064413, (2021) - Y. Lysogorskiy, C. van der Oord, A. Bochkarev, S. Menon, et al.
Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon. npj Computational Materials, 7, 97, (2021) - S. Starikov, D. Smirnova, T. Pradhan, Y. Lysogorskiy, et al.
Angular-dependent interatomic potential for large-scale atomistic simulation of iron: development and comprehensive comparison with existing interatomic models. Physical Review Materials, 5, 063607, (2021) - S. Starikov, M. Mrovec, R. Drautz
Study of grain boundary self-diffusion in iron with different atomistic models. Acta Materialia, 188, 560-569, (2020) - A. Stamminger, B. Ziebarth, M. Mrovec, T. Hammerschmidt, R. Drautz
Fast diffusion mechanism in Li4P2S6 via a concerted process of interstitial Li ions. RSC Advances, 10, 10715-10722, (2020) - S. E. Restrepo, D. Di Stefano, M. Mrovec, A. T. Paxton
Density functional theory calculations of iron - vanadium carbide interfaces and the effect of hydrogen. International Journal of Hydrogen Energy, 45, 2382-2389, (2020) - D. Smirnova, S. Starikov, G. Díaz Leines, Y. Liang, et al.
Atomistic description of self-diffusion in molybdenum: a comparative theoretical study of non-Arrhenius behavior. Physical Review Materials, 4, 013605, (2020) - A. Ferrari, M. Schröder, Y. Lysogorskiy, J. Rogal, et al.
Phase transitions in titanium with an analytic bond-order potential. Modelling and Simulation in Materials Science and Engineering, 27, 085008, (2019) - A. Stamminger, B. Ziebarth, M. Mrovec, T. Hammerschmidt, R. Drautz
Ionic conductivity and its dependence on structural disorder in halogenated argyrodites Li6PS5X (X = Br, Cl, I). Chemistry of Materials, 31, 8673-8678, (2019) - D. Sangiovanni, J. Klarbring, D. Smirnova, N. V. Skripnyak, et al.
Superioniclike diffusion in an elemental crystal: bcc titanium. Physical Review Letters, 123, 105501, (2019) - T. Hammerschmidt, B. Seiser, M. Ford, A. Ladines, et al.
BOPfox program for tight-binding and analytic bond-order potential calculations. Computer Physics Communications, 235, 221-233, (2019) - D. Qiu, P. Zhao, C. Shen, W. Lu, et al.
Predicting grain boundary structure and energy in BCC metals by integrated atomistic and phase-field modeling. Acta Materialia, 164, 799-809, (2019) - J. Möller, M. Mrovec, I. Bleskov, J. Neugebauer, et al.
{110} planar faults in strained bcc metals: Origins and implications of a commonly observed artifact of classical potentials. Physical Review Materials, 2, 093606, (2018) - Y. Lin, M. Mrovec, V. Vitek
Development of bond-order potentials for bcc transition metals. Solid State Phenomena, 258, 3-10, (2017) - Y. Lin, M. Mrovec, V. Vitek
Importance of inclusion of the effect of s electrons into bond-order potentials for transition bcc metals with d-band mediated bonding. Modelling and Simulation in Materials Science and Engineering, 24, 085001, (2016) - P.A.T. Olsson, M. Mrovec, M. Kroon
First principles characterisation of brittle transgranular fracture of titanium hydrides. Acta Materialia, 118, 362-373, (2016) - Y. S. Lin, M. Mrovec, V. Vitek
Bond-order potential for magnetic body-centered-cubic iron and its transferability. Physical Review B, 93, 214107, (2016) - D. Di Stefano, R. Nazarov, T. Hickel, J. Neugebauer, et al.
First-principles investigation of hydrogen interaction with TiC precipitates in α-Fe. Physical Review B, 93, 184108, (2016) - N. Winzer, O. Rott, R. Thiessen, I. Thomas, et al.
Hydrogen diffusion and trapping in Ti-modified advanced high strength steels. Materials & Design, 92, 450-461, (2016) - D. Di Stefano, M. Mrovec, C. Elsässer
First-principles investigation of quantum mechanical effects on the diffusion of hydrogen in iron and nickel. Physical Review B, 92, 224301, (2015) - P. Hirel, A. F. Mark, M. Castillo-Rodriguez, W. Sigle, et al.
Theoretical and experimental study of the core structure and mobility of dislocations and their influence on the ferroelectric polarization in perovskite KNbO3. Physical Review B, 92, 214101, (2015) - B. Ziebarth, M. Mrovec, C. Elsässer, P. Gumbsch
Interstitial iron impurities at cores of dissociated dislocations in silicon. Physical Review B, 92, 195308, (2015) - D. Di Stefano, M. Mrovec, C. Elsässer
First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel. Acta Materialia, 98, 306-312, (2015) - T. Shimada, J. Wang, Y. Araki, M. Mrovec, et al.
Multiferroic vacancies at ferroelectric PbTiO3 surfaces. Physical Review Letters, 115, 107202, (2015) - B. Ziebarth, M. Mrovec, C. Elsässer, P. Gumbsch
Influence of dislocation strain fields on the diffusion of interstitial iron impurities in silicon. Physical Review B, 92, 115309, (2015) - D. Weygand, M. Mrovec, T. Hochrainer, P. Gumbsch
Multiscale simulation of plasticity in bcc metals. Annual Review of Materials Research, 45, 369-390, (2015) - D. Seif, G. Po, M. Mrovec, M. Lazar, et al.
Atomistically enabled nonsingular anisotropic elastic representation of near-core dislocation stress fields in α-iron. Physical Review B, 91, 184102, (2015) - J. Gehrmann, D. Pettifor, A. Kolmogorov, M. Reese, et al.
Reduced tight-binding models for elemental Si and N, and ordered binary Si-N systems. Physical Review B, 91, 054109, (2015) - B. Ziebarth, M. Mrovec, C. Elsässer, P. Gumbsch
Interstitial iron impurities at grain boundaries in silicon: A first-principles study. Physical Review B, 91, 035309, (2015) - T. Shimada, J. Wang, T. Ueda, Y. Uratani, et al.
Multiferroic grain boundaries in oxygen-deficient ferroelectric lead titanate. Nano letters, 15, 27-33, (2015) - B. Ziebarth, M. Mrovec, C. Elsässer, P. Gumbsch
Potential-induced degradation in solar cells: electronic structure and diffusion mechanism of sodium in stacking faults of silicon. Journal of Applied Physics, 116, 093510, (2014) - N. Winzer, M. Mrovec
Multiscale approaches to hydrogen-assisted degradation of metals. The Journal of The Minerals, Metals & Materials Society, 66, 1366-1367, (2014) - P. A. Romero, T. T. Järvi, N. Beckmann, M. Mrovec, M. Moseler
Coarse graining and localized plasticity between sliding nanocrystalline metals. Physical Review Letters, 113, 036101, (2014) - Y. S. Lin, M. Mrovec, V. Vitek
A new method for development of bond-order potentials for transition bcc metals. Modelling and simulation in materials science and engineering, 22, 034002, (2014) - Z. M. Chen, M. Mrovec, P. Gumbsch
Atomistic aspects of 1/2 ⟨111⟩ screw dislocation behavior in α-iron and the derivation of microscopic yield criterion. Modelling and simulation in materials science and engineering, 21, 055023, (2013) - L. Pastewka, M. Mrovec, M. Moseler, P. Gumbsch
Bond order potentials for fracture, wear, and plasticity. MRS Bulletin, 37, 493-503, (2012) - P. Hirel, M. Mrovec, C. Elsässer
Atomistic simulation study of <110> dislocations in strontium titanate. Acta Materialia, 60, 329-338, (2012) - A. Urban, M. Reese, M. Mrovec, C. Elsässer, B. Meyer
Parameterization of tight-binding models from density functional theory calculations. Physical Review B, 84, 155119, (2011) - R. Margine, A. Kolmogorov, M. Reese, M. Mrovec, et al.
Development of orthogonal tight-binding models for Ti-C and Ti-N systems. Physical Review B, 84, 155120, (2011) - Z. M. Chen, M. Mrovec, P. Gumbsch
Dislocation-vacancy interactions in tungsten. Modelling and simulation in materials science and engineering, 19, 074002, (2011) - M. Mrovec, D. Nguyen-Manh, C. Elsässer, P. Gumbsch
Magnetic bond-order potential for iron. Physical Review Letters, 106, 246402, (2011) - M. Mrovec, C. Elsässer, P. Gumbsch
Atomistic simulations of lattice defects in tungsten. International Journal of Refractory Metals & Hard Materials, 28, 698-702, (2010) - P. Hirel, P. Marton, M. Mrovec, C. Elsässer
Theoretical investigation of {110} generalized stacking faults and their relation to dislocation behavior in perovskite oxides. Acta Materialia, 58, 6072-6079, (2010) - M. Mrovec, J. Albina, B. Meyer, C. Elsässer
Schottky barriers at transition-metal/SrTiO3(001) interfaces. Physical Review B, 79, 245121, (2009) - S. Dudarev, J. L. Boutard, R. Lässer, M. J. Caturla, et al.
The EU programme for modelling radiation effects in fusion reactor materials: an overview of recent advances and future goals. Journal of Nuclear Materials, 386-388, 1-7, (2009) - M. Mrovec, C. Elsässer, P. Gumbsch
Interactions between lattice dislocations and twin boundaries in tungsten: A comparative atomistic simulation study. Philosophical Magazine, 89, 3179-3194, (2009) - D. Nguyen-Manh, M. Mrovec, S. P. Fitzgerald, P. Steven
Dislocation Driven Problems in Atomistic Modelling of Materials. Materials Transactions, 49, 2497-2506, (2008) - Y. Cheng, M. Mrovec, P. Gumbsch
Crack nucleation at the ∑9(221) symmetrical tilt grain boundary in tungsten. Materials Science and Engineering: A, 483-484, 329-332, (2008) - Y. Cheng, M. Mrovec, P. Gumbsch
Atomistic simulations of interactions between the 1/2(111) edge dislocation and symmetric tilt grain boundaries in tungsten. Philosophical Magazine, 88, 547-560, (2008) - J. Albina, M. Mrovec, B. Meyer, C. Elsässer
Structure, stability, and electronic properties of SrTiO3∕LaAlO3 and SrTiO3∕SrRuO3 interfaces. Physical Review B, 76, 165103, (2007) - M. Mrovec, R. Gröger, A. G. Bailey, D. Nguyen-Manh, et al.
Bond-order potential for simulations of extended defects in tungsten. Physical Review B, 75, 104119, (2007) - M. Mrovec, M. Moseler, C. Elsässer, P. Gumbsch
Atomistic modeling of hydrocarbon systems using analytic bond-order potentials. Progress in Materials Science, 52, 230-254, (2007) - D. Nguyen-Manh, M. J. Cawkwell, R. Gröger, M. Mrovec, et al.
Dislocations in materials with mixed covalent and metallic bonding. Materials Science and Engineering: A-Structural Materials Properties Microstructure and Processing, 400-401, 68-71, (2005) - M. J. Cawkwell, M. Mrovec, D. Nguyen-Manh, D. Pettifor, V. Vitek
A bond-order potential incorporating analytic screening functions for the molybdenum silicides. Integrative and Interdisciplinary Aspects of Intermetallics, 309-314, (2005) - V. Vitek, M. Mrovec, R. Gröger, J. L. Bassani, et al.
Effects of non-glide stresses on the plastic flow of single and polycrystals of molybdenum. Materials Science and Engineering: A-Structural Materials Properties Microstructure and Processing, 387-389, 138-142, (2004) - M. Mrovec, D. Nguyen-Manh, D. Pettifor, V. Vitek
Bond-order potential for molybdenum: Application to dislocation behavior. Physical Review B, 69, 094115, (2004) - V. Vitek, M. Mrovec, J. L. Bassani
Influence of non-glide stresses on plastic flow: from atomistic to continuum modeling. Materials Science and Engineering: A-Structural Materials Properties Microstructure and Processing, 365, 31-37, (2004) - M. Mrovec, T. Ochs, C. Elsässer, V. Vitek, et al.
Never ending saga of a simple boundary. Zeitschrift für Metallkunde, 94, 244-249, (2003) - D. Nguyen-Manh, D. Pettifor, D. J. H. Cockayne, M. Mrovec, et al.
Environmentally dependent bond-order potentials: New developments and applications. Bulletin of Materials Science, 26, 43-51, (2003) - M. Mrovec, D. Nguyen-Manh, D. Pettifor, et al.
Bond-order potentials with analytic environment-dependent tight-binding integrals: application to BCC molybdenum. Multiscale Modeling of Materials - 2000. Symposium, (2001) - T. Ochs, C. Elsässer, M. Mrovec, V. Vitek, et al.
Symmetrical tilt grain boundaries in bcc transition metals: comparison of semiempirical with ab-initio total-energy calculations. Philosophical Magazine: A-Physics of Condensed Matter Structure Deffects and Mechanical Properties, 80, 2405-2423, (2000) - M. Mrovec, V. Vitek, D. Nguyen-Manh, D. Pettifor, et al.
Study of the mechanical behavior of BCC transition metals using bond-order potentials. Multiscale Phenomena in Materials. Experiments and Modeling, 578, 199-204, (1999) - M. Mrovec, J. Leitner, M. Nevriva, D. Sedmidubsky, J. Stejskal
Thermochemical properties of MeCuO2 and Me2CuO3 (Me = Ca, Sr, Ba) mixed oxides. Thermochimica Acta, 318, 63-70, (1998) - M. Mrovec, V. Vitek, D. Nguyen-Manh, L. G. Wang, M. Sob
Bond-order potentials for molybdenum and niobium: an assessment of their quality. Multiscale Modeling of Materials, 538, 529-534, (1998)
- 28.10.2022
Minaam Qamar, Matous Mrovec, Yury Lysogorskiy, Anton Bochkarev, Ralf Drautz
Atomic cluster expansion for quantum-accurate simulations for carbon
5th Young Material Researchers day, Ruhr-Universität Bochum, Germany - 28.09.2022
Sergei Starikov, Antoine Kraych, Matous Mrovec
Macroscopic characteristics of plastic deformation described through dislocation mobility properties
Materials Science and Engineering (MSE) Congress 2022, Darmstadt, Germany - 07.09.2022
Yanyan Liang, Matous Mrovec, Yury Lysogorskiy, Ralf Drautz
Atomic cluster expansion for the Ag-Pd system
DPG Meeting of the Condensed Matter Section 2022, Universität Regensburg, Germany - 07.09.2022
Eslam Ibrahim, Yury Lysogorskiy, Matous Mrovec, Ralf Drautz
Atomic cluster expansion: a universal machine learning potential for magnesium
DPG Meeting of the Condensed Matter Section 2022, Universität Regensburg, Germany - 06.09.2022
Minaam Qamar, Matous Mrovec, Yury Lysogorskiy, Anton Bochkarev, Ralf Drautz
Transferable atomic cluster expansion potential for carbon
DPG Meeting of the Condensed Matter Section 2022, Universität Regensburg, Germany - 06.09.2022
Sergei Starikov, Antoine Kraych, Matous Mrovec
Macroscopic characteristics of plastic deformation described through dislocation mobility properties
DPG Meeting of the Condensed Matter Section 2022, Universität Regensburg, Germany - 29.08.2022
Yury Lysogorskiy, Anton Bochkarev, Matteo Rinaldi, Minaam Qamar, et al.
Atomic cluster expansion for materials modeling invited
Materials Chain International Conference on Future Energy Materials and Systems 2022, Ruhr-Universität Bochum, Germany - 24.08.2022
Yury Lysogorskiy, Anton Bochkarev, Matous Mrovec, Ralf Drautz
Active learning strategies for atomic cluster expansion (ACE) models
Psi-k 2022, Lausanne, Switzerland - 02.06.2022
Minaam Qamar, Matous Mrovec, Yury Lysogorskiy, Anton Bochkarev, Ralf Drautz
Modelling nano-scale carbon materials with quantum accuracy
SurMat Retreat, Akademie Biggesee, Attendorn, Germany - 23.03.2022
Minaam Qamar, Matous Mrovec, Yury Lysogorskiy, Anton Bochkarev, Ralf Drautz
Parametrization of atomic cluster expansion potential for carbon
International ACE Seminar, online event - 21.10.2021
Sergei Starikov, Vasily Tseplyaev, Matous Mrovec
Two-scale simulation of plastic deformation in bcc metals: combination of atomistic simulation and dislocation dynamics
Materials Science and Technology 2021, Columbus, USA, online event - 16.09.2021
Sergei Starikov, Daria Smirnova, Tapaswani Pradhan, Matous Mrovec, Ralf Drautz
Atomistic study of hydrogen behavior in Fe in presence of crystal defects
EUROMAT 2021, Graz, Austria, online event - 15.09.2021
Anton Bochkarev, Antoine Kraych, Yury Lysogorskiy, Matous Mrovec, Ralf Drautz
Automated parameterization of the atomic cluster expansion
EUROMAT 2021, Graz, Austria, online event - 13.09.2021
Antoine Kraych, Anton Bochkarev, Yury Lysogorskiy, Matous Mrovec, Ralf Drautz
Investigation of tungsten plasticity using atomic cluster expansion
EUROMAT 2021, Graz, Austria, online event - 29.06.2021
Sergei Starikov, Daria Smirnova, Matous Mrovec, Ralf Drautz
Atomistic simulation of bulk and grain boundary diffusion in iron
17th International Conference on Diffusion in Solids and Liquids, Malta, online event - 01.06.2021
Matous Mrovec, Daria Smirnova, Sergei Starikov, Tapaswani Pradhan, et al.
Atomistic insights into microstructural defects and their role in H embrittlement invited
THERMEC’2021 International conference on processing & manufacturing of advanced materials, online event - 10.06.2020
Yury Lysogorskiy, Thomas Hammerschmidt, Matous Mrovec, Ralf Drautz
Data management for interatomic potentials validation and development
Open Databases Integration for Materials Design, online event - 12.12.2019
Yury Lysogorskiy, Thomas Hammerschmidt, Matous Mrovec, Ralf Drautz
Data management for atomistic simulations: design and case studies invited
Materials Research Meeting 2019, Yokohama, Japan - 09.12.2019
Yury Lysogorskiy, Thomas Hammerschmidt, Matous Mrovec, Ralf Drautz
Data management for atomistic simulations: design and case studies invited
Materials Integration International Workshop, National Institute for Materials Science, Tsukuba, Japan - 24.10.2019
Daria Smirnova, Yanyan Liang, Grisell Díaz Leines, Sergei Starikov, et al.
Atomistic description of self-diffusion in molybdenum
3rd German-Dutch Workshop on “Computational Materials Science", Domburg, Netherlands - 16.09.2019
Matous Mrovec, Sergei Starikov, Ralf Drautz
Atomistic simulations of dislocations in iron-chromium alloys
Dislocations 2019, Haifa, Israel - 16.09.2019
Tapaswani Pradhan, Anastasiia Kholtobina, Lorenz Romaner, Matous Mrovec, Ralf Drautz
Core structure and mobility of mixed ½ [111] dislocations in bcc metals
Dislocations 2019, Haifa, Israel - 05.08.2019
Tapaswani Pradhan, Anastasiia Kholtobina, Lorenz Romaner, Matous Mrovec, Ralf Drautz
Atomistic simulations of mixed ½[111] dislocations in bcc transition metals
The 4th International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics of Materials (ISAM4), Erlangen, Germany - 05.08.2019
Matous Mrovec, Sergei Starikov, Ralf Drautz
Atomistic simulations of the iron - chromium system
The 4th International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics of Materials (ISAM4), Erlangen, Germany - 28.05.2019
Tapaswani Pradhan, Anastasiia Kholtobina, Lorenz Romaner, Matous Mrovec, Ralf Drautz
Atomistic simulations of mixed ½[111] dislocations in bcc transition metals
IMPRS-SurMat Retreat, Kreuth, Germany - 04.04.2019
Tapaswani Pradhan, Anastasiia Kholtobina, Lorenz Romaner, Matous Mrovec, Ralf Drautz
Atomistic simulations of mixed ½[111] dislocations in bcc transition metals
DPG Spring Meeting, Regensburg, Germany - 03.04.2019
Alberto Ferrari, Malte Schröder, Yury Lysogorskiy, Jutta Rogal, et al.
Parametrization of a bond-order potential for Ti
DPG Spring Meeting, Regensburg, Germany - 03.04.2019
Daria Smirnova, Yanyan Liang, Grisell Díaz Leines, Sergei Starikov, et al.
Atomistic description of self-diffusion in molybdenum
DPG Spring Meeting, Regensburg, Germany - 02.04.2019
Sergei Starikov, Matous Mrovec, Ralf Drautz
Atomistic simulations of bulk and grain boundary diffusion in bcc iron
DPG Spring Meeting, Regensburg, Germany - 27.03.2019
Matous Mrovec
Atomistic simulations of extended defects in iron and its compounds using magnetic bond order potentials invited
ONERA, Paris, France - 09.09.2018
Matous Mrovec
Atomistic studies of dislocations in iron using magnetic bond order potential invited
Multiscale Modelling of Materials for Sustainable Development Conference, Vietnam National University, Hanoi, Vietnam - 11.07.2018
Matous Mrovec
Atomistic simulations of extended defects using bond order potentials invited
David Pettifor Scientific Symposium, Oxford, UK - 25.06.2018
Matous Mrovec, Mohamed Hassan, Tapaswani Pradhan, Sergei Starikov, Ralf Drautz
Atomistic studies of dislocations in iron using magnetic bond order potentials
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany - 25.06.2018
Minaam Qamar, Matous Mrovec, Ralf Drautz
Impurity segregation in iridium grain boundaries
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany - 25.06.2018
Matteo Rinaldi, Matous Mrovec, Ralf Drautz
Atomistic methods for calculation of micromagnetic parameters
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany - 25.06.2018
Daria Smirnova, Sergei Starikov, Matous Mrovec, Ralf Drautz
Atomistic simulation of self-diffusion in bcc metals
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany - 25.06.2018
Alberto Ferrari, Malte Schröder, Jutta Rogal, Matous Mrovec, Ralf Drautz
Development of tight-binding and bond-order potential parameterizations for titanium
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany - 29.03.2018
Matous Mrovec
Atomistic simulations of extended defects using coarse-grained electronic structure methods invited
Masaryk University, Brno, Czech Republic - 16.01.2018
Malte Schröder, Alberto Ferrari, Matous Mrovec, Ralf Drautz
Bond-order potentials for TiC: Theory and parametrization of Ti and C
Computational Materials Science on Complex Energy Landscapes, Kirchdorf, Austria - 06.11.2017
Matous Mrovec
Atomistic simulations of extended defects using coarse-grained electronic structure methods invited
Friedrich-Alexander Universität Erlangen-Nürnberg, Germany - 28.06.2017
Matous Mrovec
Atomistic simulations of mechanical behavior using bond order potentials invited
Université de Lille, France - 01.03.2017
Matous Mrovec, Thomas Hammerschmidt, Yi-Shen Lin, Vaclav Vitek, Ralf Drautz
Validation and uncertainty assessment of bond-order potentials for transition metals
TMS Annual Meeting, San Diego, USA - 28.02.2017
Srini Rajagopalan, Matous Mrovec, Davide Di Stefano, Christian Elsässer
Theoretical study of interfaces between transition metals and a-C:H
TMS Annual Meeting, San Diego, USA - 28.02.2017
Matous Mrovec, Davide Di Stefano, Christian Elsässer, Roman Nazarov, et al.
New insights into H trapping and diffusion in steel microstructures obtained from atomistic simulations invited
TMS Annual Meeting, San Diego, USA - 16.01.2017
Tilmann Hickel, Eunan McEniry, Poulumi Dey, Jörg Neugebauer, et al.
The first principles approach: Insights into hydrogen trapping by microstructures in steels invited
Royal Society Discussion Meeting: The challenges of hydrogen and metals, London, UK - 09.01.2017
Tilmann Hickel, Poulumi Dey, Matous Mrovec, Eunan McEniry, Jörg Neugebauer
Ab initio insights into interface in steels: Fundamentals, recent results & outlook
Retreat of the SN department, Tegernsee, Germany - 27.10.2016
Matous Mrovec
New insights into hydrogen trapping and diffusion in metallic microstructures obtained from atomistic simulations invited
Atomic scale modeling: What's in for steel?, Ghent, Belgium - 12.10.2016
Daniel Urban, Matous Mrovec, Christian Elsässer
Revealing the mechanism of Z phase-formation in 12% Cr ferritic-martensitic steels
8th International Conference on Multiscale Materials Modeling, Dijon, France - 11.10.2016
Davide Di Stefano, Matous Mrovec, Benedikt Ziebarth, Christian Elsässer
Influence of hydrogen on grain boundary cohesion in nickel
8th International Conference on Multiscale Materials Modeling, Dijon, France - 10.10.2016
Matous Mrovec, Benedikt Ziebarth, Christian Elsässer, Peter Gumbsch
Interaction of interstitial iron with dislocations in silicon
8th International Conference on Multiscale Materials Modeling, Dijon, France - 06.10.2016
Matous Mrovec, Peter Gumbsch
Simulations of dislocation properties using magnetic bond order potential
ADIS 2016, Tegernsee, Germany
Professional Experience
Since Oct 2016
ICAMS, Ruhr University Bochum, Germany, Research Group Leader
2016
Los Alamos National Laboratory, Los Alamos, USA, Visiting Scientist
Fraunhofer Institute for Mechanics of Materials IWM, Freiburg, Germany, Deputy Group Leader
2004 – 2016
Karlsruhe Institute of Technology, Karlsruhe, Germany, Scientist
2003 – 2004
Karlsruhe Institute of Technology, Karlsruhe, Germany, Postdoctoral Fellow
2002 – 2003
Max Planck Institute for Metal Research, Stuttgart, Germany, Postdoctoral Fellow
Education
2002. , Materials Science and Engineering, University of Pennsylvania, Philadelphia, USA
1995. , Mechanical Engineering, University of Chemistry and Technology, Prague, Czech Republic