ICAMS Members
Dr. Matous Mrovec
Research Group LeaderGroup: Atomistic Simulation of Mechanical Behaviour
Department of Atomistic Modelling and SimulationICAMS
Ruhr-Universität Bochum
IC 02-571
Universitätsstraße 150
44801 Bochum
Tel. +49 234 32 29313
Email: Matous Mrovec
ORCID ID: 0000-0001-8216-2254
Atomistic modelling and simulation
Crystal defects
Mechanical behaviour
Hydrogen embrittlement
Research Interests:
Atomistic modelling and simulation
Crystal defects
Mechanical behaviour
Hydrogen embrittlement
- BOPfox
Analytical bond-order potential and tight binding program
http://bopfox.de/ - PACE
Performant implementation of Atomic Cluster Expansion in LAMMPS
https://docs.lammps.org/pair_pace.html - pacemaker
Tool for fitting of nonlinear Atomic Cluster Expansion (ACE)
https://github.com/ICAMS/python-ace
- S. J. J. 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, American Physical Society (APS),, 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, 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 et al.
Fast diffusion mechanism in Li4P2S6 via a concerted process of interstitial Li ions, RSC Advances, 10, 10715-10722, (2020)
- S. E. Restrepo, 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. F. 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 et al.
Ionic conductivity and its dependence on structural disorder in halogenated argyrodites Li6PS5X (X = Br, Cl, I), Chemistry of Materials, 31, 8673-8678, (2019)
- D. G. 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. N. C. 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)
- 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. 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)
- 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)
- 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)
- 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)
- 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. G. 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)
- 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.
Interstitial iron impurities at grain boundaries in silicon: A first-principles study, Physical Review B, 91, 035309, (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 et al.
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 et al.
Parameterization of tight-binding models from density functional theory calculations, Physical Review B, 84, 155119, (2011)
- Z. M. Chen, M. Mrovec, P. Gumbsch.
Dislocation-vacancy interactions in tungsten, Modelling and simulation in materials science and engineering, 19, 074002, (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)
- 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. L. 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. G. Pettifor et al.
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. G. 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. G. 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. G. 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. G. 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 et al.
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 et al.
Bond-order potentials for molybdenum and niobium: an assessment of their quality, Multiscale Modeling of Materials, 538, 529-534, (1998)
- 29.08.2022Atomic cluster expansion for materials modelingYury Lysogorskiy, Anton Bochkarev, Matteo Rinaldi, Minaam Qamar, Matous Mrovec, Ralf Drautz
Materials Chain International Conference on Future Energy Materials and Systems 2022, Ruhr-Universität Bochum, Germany
- 01.06.2021Atomistic insights into microstructural defects and their role in H embrittlementMatous Mrovec, Daria Smirnova, Sergei Starikov, Tapaswani Pradhan, Minaam Qamar, Ralf Drautz
THERMEC’2021 International conference on processing & manufacturing of advanced materials, online event
- 12.12.2019Data management for atomistic simulations: design and case studiesYury Lysogorskiy, Thomas Hammerschmidt, Matous Mrovec, Ralf Drautz
Materials Research Meeting 2019, Yokohama, Japan
- 09.12.2019Data management for atomistic simulations: design and case studiesYury Lysogorskiy, Thomas Hammerschmidt, Matous Mrovec, Ralf Drautz
Materials Integration International Workshop, National Institute for Materials Science, Tsukuba, Japan
- 27.03.2019Atomistic simulations of extended defects in iron and its compounds using magnetic bond order potentialsMatous Mrovec
ONERA, Paris, France
- 09.09.2018Atomistic studies of dislocations in iron using magnetic bond order potentialMatous Mrovec
Multiscale Modelling of Materials for Sustainable Development Conference, Vietnam National University, Hanoi, Vietnam
- 11.07.2018Atomistic simulations of extended defects using bond order potentialsMatous Mrovec
David Pettifor Scientific Symposium, Oxford, UK
- 29.03.2018Atomistic simulations of extended defects using coarse-grained electronic structure methodsMatous Mrovec
Masaryk University, Brno, Czech Republic
- 06.11.2017Atomistic simulations of extended defects using coarse-grained electronic structure methodsMatous Mrovec
Friedrich-Alexander Universität Erlangen-Nürnberg, Germany
- 28.06.2017Atomistic simulations of mechanical behavior using bond order potentialsMatous Mrovec
Université de Lille, France
- 28.02.2017New insights into H trapping and diffusion in steel microstructures obtained from atomistic simulationsMatous Mrovec, Davide Di Stefano, Christian Elsässer, Roman Nazarov, Tilmann Hickel, Jörg Neugebauer
TMS Annual Meeting, San Diego, USA
- 16.01.2017The first principles approach: Insights into hydrogen trapping by microstructures in steelsTilmann Hickel, Eunan John McEniry, Poulumi Dey, Jörg Neugebauer, Matous Mrovec, Davide Di Stefano, Christian Elsässer
Royal Society Discussion Meeting: The challenges of hydrogen and metals, London, UK
- 27.10.2016New insights into hydrogen trapping and diffusion in metallic microstructures obtained from atomistic simulationsMatous Mrovec
Atomic scale modeling: What's in for steel?, Ghent, Belgium
- 28.10.2022Atomic cluster expansion for quantum-accurate simulations for carbonMinaam Qamar, Matous Mrovec, Yury Lysogorskiy, Anton Bochkarev, Ralf Drautz
5th Young Material Researchers day, Ruhr-Universität Bochum, Germany
- 28.09.2022Macroscopic characteristics of plastic deformation described through dislocation mobility propertiesSergei Starikov, Antoine André Maroun Kraych, Matous Mrovec
Materials Science and Engineering (MSE) Congress 2022, Darmstadt, Germany
- 07.09.2022Atomic cluster expansion for the Ag-Pd systemYanyan Liang, Matous Mrovec, Yury Lysogorskiy, Ralf Drautz
DPG Meeting of the Condensed Matter Section 2022, Universität Regensburg, Germany
- 07.09.2022Atomic cluster expansion: a universal machine learning potential for magnesiumEslam Ibrahim, Yury Lysogorskiy, Matous Mrovec, Ralf Drautz
DPG Meeting of the Condensed Matter Section 2022, Universität Regensburg, Germany
- 06.09.2022Transferable atomic cluster expansion potential for carbonMinaam Qamar, Matous Mrovec, Yury Lysogorskiy, Anton Bochkarev, Ralf Drautz
DPG Meeting of the Condensed Matter Section 2022, Universität Regensburg, Germany
- 06.09.2022Macroscopic characteristics of plastic deformation described through dislocation mobility propertiesSergei Starikov, Antoine André Maroun Kraych, Matous Mrovec
DPG Meeting of the Condensed Matter Section 2022, Universität Regensburg, Germany
- 24.08.2022Active learning strategies for atomic cluster expansion (ACE) modelsYury Lysogorskiy, Anton Bochkarev, Matous Mrovec, Ralf Drautz
Psi-k 2022, Lausanne, Switzerland
- 02.06.2022Modelling nano-scale carbon materials with quantum accuracyMinaam Qamar, Matous Mrovec, Yury Lysogorskiy, Anton Bochkarev, Ralf Drautz
SurMat Retreat, Akademie Biggesee, Attendorn, Germany
- 23.03.2022Parametrization of atomic cluster expansion potential for carbonMinaam Qamar, Matous Mrovec, Yury Lysogorskiy, Anton Bochkarev, Ralf Drautz
International ACE Seminar, online event
- 21.10.2021Two-scale simulation of plastic deformation in bcc metals: combination of atomistic simulation and dislocation dynamicsSergei Starikov, Vasily Tseplyaev, Matous Mrovec
Materials Science and Technology 2021, Columbus, USA, online event
- 16.09.2021Atomistic study of hydrogen behavior in Fe in presence of crystal defectsSergei Starikov, Daria Smirnova, Tapaswani Pradhan, Matous Mrovec, Ralf Drautz
EUROMAT 2021, Graz, Austria, online event
- 15.09.2021Automated parameterization of the atomic cluster expansionAnton Bochkarev, Antoine André Maroun Kraych, Yury Lysogorskiy, Matous Mrovec, Ralf Drautz
EUROMAT 2021, Graz, Austria, online event
- 13.09.2021Investigation of tungsten plasticity using atomic cluster expansionAntoine André Maroun Kraych, Anton Bochkarev, Yury Lysogorskiy, Matous Mrovec, Ralf Drautz
EUROMAT 2021, Graz, Austria, online event
- 29.06.2021Atomistic simulation of bulk and grain boundary diffusion in ironSergei Starikov, Daria Smirnova, Matous Mrovec, Ralf Drautz
17th International Conference on Diffusion in Solids and Liquids, Malta, online event
- 10.06.2020Data management for interatomic potentials validation and developmentYury Lysogorskiy, Thomas Hammerschmidt, Matous Mrovec, Ralf Drautz
Open Databases Integration for Materials Design, online event
- 24.10.2019Atomistic description of self-diffusion in molybdenumDaria Smirnova, Yanyan Liang, Grisell Díaz Leines, Sergei Starikov, Ning Wang, Maxim Popov, Davide Giuseppe Sangiovanni, Igor Abrikosov, Ralf Drautz, Matous Mrovec
3rd German-Dutch Workshop on “Computational Materials Science", Domburg, Netherlands
- 16.09.2019Atomistic simulations of dislocations in iron-chromium alloysMatous Mrovec, Sergei Starikov, Ralf Drautz
Dislocations 2019, Haifa, Israel
- 16.09.2019Core structure and mobility of mixed ½ [111] dislocations in bcc metalsTapaswani Pradhan, Anastasiia Kholtobina, Lorenz Romaner, Matous Mrovec, Ralf Drautz
Dislocations 2019, Haifa, Israel
- 05.08.2019Atomistic simulations of mixed ½[111] dislocations in bcc transition metalsTapaswani Pradhan, Anastasiia Kholtobina, Lorenz Romaner, Matous Mrovec, Ralf Drautz
The 4th International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics of Materials (ISAM4), Erlangen, Germany
- 05.08.2019Atomistic simulations of the iron - chromium systemMatous Mrovec, Sergei Starikov, Ralf Drautz
The 4th International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics of Materials (ISAM4), Erlangen, Germany
- 28.05.2019Atomistic simulations of mixed ½[111] dislocations in bcc transition metalsTapaswani Pradhan, Anastasiia Kholtobina, Lorenz Romaner, Matous Mrovec, Ralf Drautz
IMPRS-SurMat Retreat, Kreuth, Germany
- 04.04.2019Atomistic simulations of mixed ½[111] dislocations in bcc transition metalsTapaswani Pradhan, Anastasiia Kholtobina, Lorenz Romaner, Matous Mrovec, Ralf Drautz
DPG Spring Meeting, Regensburg, Germany
- 03.04.2019Parametrization of a bond-order potential for TiAlberto Ferrari, Malte Fritz Schröder, Yury Lysogorskiy, Jutta Rogal, Matous Mrovec, Ralf Drautz
DPG Spring Meeting, Regensburg, Germany
- 03.04.2019Atomistic description of self-diffusion in molybdenumDaria Smirnova, Yanyan Liang, Grisell Díaz Leines, Sergei Starikov, Ning Wang, Maxim Popov, Davide Giuseppe Sangiovanni, Igor Abrikosov, Ralf Drautz, Matous Mrovec
DPG Spring Meeting, Regensburg, Germany
- 02.04.2019Atomistic simulations of bulk and grain boundary diffusion in bcc ironSergei Starikov, Matous Mrovec, Ralf Drautz
DPG Spring Meeting, Regensburg, Germany
- 25.06.2018Atomistic studies of dislocations in iron using magnetic bond order potentialsMatous Mrovec, Mohamed Tarek Hassan, Tapaswani Pradhan, Sergei Starikov, Ralf Drautz
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany
- 25.06.2018Impurity segregation in iridium grain boundariesMinaam Qamar, Matous Mrovec, Ralf Drautz
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany
- 25.06.2018Atomistic methods for calculation of micromagnetic parametersMatteo Rinaldi, Matous Mrovec, Ralf Drautz
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany
- 25.06.2018Atomistic simulation of self-diffusion in bcc metalsDaria Smirnova, Sergei Starikov, Matous Mrovec, Ralf Drautz
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany
- 25.06.2018Development of tight-binding and bond-order potential parameterizations for titaniumAlberto Ferrari, Malte Fritz Schröder, Jutta Rogal, Matous Mrovec, Ralf Drautz
10 Years ICAMS - International Symposium, Ruhr-Universität Bochum, Germany
- 16.01.2018Bond-order potentials for TiC: Theory and parametrization of Ti and CMalte Fritz Schröder, Alberto Ferrari, Matous Mrovec, Ralf Drautz
Computational Materials Science on Complex Energy Landscapes, Kirchdorf, Austria
- 01.03.2017Validation and uncertainty assessment of bond-order potentials for transition metalsMatous Mrovec, Thomas Hammerschmidt, Yi-Shen Lin, Vaclav Vitek, Ralf Drautz
TMS Annual Meeting, San Diego, USA
- 28.02.2017Theoretical study of interfaces between transition metals and a-C:HSrini Rajagopalan, Matous Mrovec, Davide Di Stefano, Christian Elsässer
TMS Annual Meeting, San Diego, USA
- 09.01.2017Ab initio insights into interface in steels: Fundamentals, recent results & outlookTilmann Hickel, Poulumi Dey, Matous Mrovec, Eunan John McEniry, Jörg Neugebauer
Retreat of the SN department, Tegernsee, Germany
8th International Conference on Multiscale Materials Modeling, Dijon, France
- 11.10.2016Influence of hydrogen on grain boundary cohesion in nickelDavide Di Stefano, Matous Mrovec, Benedikt Ziebarth, Christian Elsässer
8th International Conference on Multiscale Materials Modeling, Dijon, France
- 10.10.2016Interaction of interstitial iron with dislocations in siliconMatous Mrovec, Benedikt Ziebarth, Christian Elsässer, Peter Gumbsch
8th International Conference on Multiscale Materials Modeling, Dijon, France
- 06.10.2016Simulations of dislocation properties using magnetic bond order potentialMatous Mrovec, Peter Gumbsch
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
1996 – 2002
University of Pennsylvania, Philadelphia, USA PhD in Materials Science and Engineering
1990 – 1995
University of Chemistry and Technology, Prague, Czech Republic MS in Materials Engineering
