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• S. Teng, A. Dimou, B. Udofia, M. Ghasemi, et al.
  Control of ferroelectric domain wall dynamics by point defects: Insights from ab initio based simulations. Journal of Applied Physics, 137, 154103, (2025)
• S. Teng, C. Anabaraonye, A. Grünebohm
  BaTiO₃–SrTiO₃ composites: a microscopic study on paraelectric cubic inclusions. Phase Transitions, 98, 45-54, (2025)
• L. Hsu, F. Wendler, A. Grünebohm
  Electric field direction dependence of the electrocaloric effect in BaTiO₃. Physical Review Materials, 8, 094408, (2024)
• S. Kunzmann, T. Hammerschmidt, G. Schierning, A. Grünebohm
  Ab initio study of transition paths between (meta)stable phases of Nb and Ta-substituted Nb. Physical Review Materials, 8, 033603, (2024)
• R. Khachaturyan, Y. Yang, S. Teng, B. Udofia, et al.
  Microscopic insights on field induced switching and domain wall motion in orthorhombic ferroelectrics. Physical Review Materials, 8, 024403, (2024)
• L. Huo, R. Schiedung, H. Li, G. Wang, et al.
  Multi-phase field modeling and simulation of magnetically driven grain boundary migration in SmCo polycrystals. Journal of Physics D: Applied Physics, 56, 465003, (2023)
• M. Moaddeli, M. Kanani, A. Grünebohm
  Electronic and structural properties of mixed-cation hybrid perovskites studied using an efficient spin-orbit included DFT-1/2 approach. Physical Chemistry Chemical Physics, 25, 25511-25525, (2023)
• A. Grünebohm, A. Hütten, A. E. Böhmer, J. Frenzel, et al.
  A unifying perspective of common motifs that occur across disparate classes of materials harboring displacive phase transitions. Advanced Energy Materials, 13, 2300754, (2023)
• A. Grünebohm, S. Teng, M. Marathe
  Influence of domain walls and defects on the electrocaloric effect. Journal of Physics: Energy, 5, 034010, (2023)
• A. Klomp, R. Khachaturyan, T. Wallis, K. Albe, A. Grünebohm
  Thermal stability of nanoscale ferroelectric domains by molecular dynamics modeling. Physical Review Materials, 6, 104411, (2022)
• A. Dimou, P. Hirel, A. Grünebohm
  Pinning of domain walls by strontium layer in BaTiO₃ perovskite: an atomic-scale study. Physical Review B, 106, 094104, (2022)
• R. Khachaturyan, A. Dimou, A. Grünebohm
  Domain wall acceleration by ultrafast field application: an ab initio‐based molecular dynamics study. Physica status solidi (RRL) – Rapid Research Letters, 16, 2200038, (2022)
• A. Grünebohm, M. Marathe, R. Khachaturyan, R. Schiedung, et al.
  Interplay of domain structure and phase transitions: theory, experiment and functionality. Journal of Physics: Condensed Matter, 34, 073002, (2022)
• M. Schröter, H. C. Herper, A. Grünebohm
  Tuning the magnetic phase diagram of Ni-Mn-Ga by Cr and Co substitution. Journal of Physics D: Applied Physics, 55, 025002, (2022)
• A. Grünebohm, M. Marathe
  Impact of domains on the orthorhombic-tetragonal transition of BaTiO3: an ab initio study. Physical Review Materials, 4, 114417, (2020)
• Y. A. Genenko, R. Khachaturyan, I. S. Vorotiahin, J. Schultheiß, et al.
  Multistep stochastic mechanism of polarization reversal in rhombohedral ferroelectrics. Physical Review B, 102, 064107, (2020)
• A. S. Everhardt, T. Denneulin, A. Grünebohm, Y.-T. Shao, et al.
  Temperature-independent giant dielectric response in transitional BaTiO₃ thin films. Applied Physics Reviews, 7, 011402, (2020)
• H. C. Herper, A. Grünebohm
  Tuning the magnetic anisotropy of NiPtMnGa by substitution and epitaxial strain. IEEE Transactions on Magnetics, 55, 2100804, (2019)
• Y.-B. Ma, B.-X. Xu, K. Albe, A. Grünebohm
  Tailoring the electrocaloric effect by internal bias fields and field protocols. Physical Review Applied, 10, 024048, (2018)
• A. Grünebohm, Y.-B. Ma, M. Marathe, B.-X. Xu, et al.
  Origins of the inverse electrocaloric effect. Energy Technology, 6, 1491-1511, (2018)
• M. Marathe, C. Ederer, A. Grünebohm
  The impact of hysteresis on the electrocaloric effect at first-order phase transitions. Physical Status Solidi (B), 255, 1700308, (2017)
• M. Marathe, D. Renggli, M. Sanlialp, M. O. Karabasov, et al.
  Electrocaloric effect in BaTiO₃ at all three ferroelectric transitions: Anisotropy and inverse caloric effects. Physical Review B, 96, 014102, (2017)
• T. Nishimatsu, A. Grünebohm, U. V. Waghmare, M. Kubo
  Molecular dynamics simulations of chemically disordered ferroelectric (Ba,Sr)TiO₃ with a semi-empirical effective. Journal of the Physical Society of Japan, 85, 114714, (2016)
• A. Grünebohm, Y.-B. Ma, K.-C. Meyer, K. Albe, B.-X. Xu
  Positive and negative electrocaloric effect in BaTiO₃ in the presence of defect dipoles. Physical Review B - Condensed Matter and Materials Physics, 94, 094113, (2016)
• A. Grünebohm, H. C. Herper, P. Entel
  On the rich magnetic phase diagram of (Ni, Co)-Mn-Sn Heusler alloys. Journal of Physics D: Applied Physics, 49, 395001, (2016)
• A. Grünebohm, M. Marathe, C. Ederer
  Tuning the caloric response of BaTiO₃ by tensile epitaxial strain. EPL, 115, 47002, (2016)
• A. Grünebohm, T. Nishimatsu
  Influence of defects on ferroelectric and electrocaloric properties of BaTiO₃. Physical Review B - Condensed Matter and Materials Physics, 93, 134101, (2016)
• A. Grünebohm, M. Marathe, T. Nishimatsu, P. Entel, C. Ederer
  First-principles-based calculation of the electrocaloric effect in BaTiO₃: A comparison of direct and indirect methods. Physical Review B - Condensed Matter and Materials Physics, 93, 054110, (2016)
• P. Entel, V. V. Sokolovskiy, V. D. Buchelnikov, M. Ogura, et al.
  The metamagnetic behavior and giant inverse magnetocaloric effect in Ni-Co-Mn-(Ga, In, Sn) Heusler alloys. Journal of Magnetism and Magnetic Materials, 385, 193-197, (2015)
• P. Entel, M. E. Gruner, M. Ogura, V. V. Sokolovskiy, et al.
  Large magnetocaloric effects in magnetic intermetallics: First-principles and Monte Carlo studies. MATEC Web of Conferences, 33, 02001, (2015)
• V. V. Sokolovskiy, V. D. Buchelnikov, M. A. Zagrebin, A. Grünebohm, P. Entel
  Predictions of a large magnetocaloric effect in Co- and Cr-substituted Heusler alloys using first-principles and Monte Carlo approaches. Physics Procedia, 75, 1381-1388, (2015)
• A. Grünebohm, M. Marathe, C. Ederer
  Ab initio phase diagram of BaTiO₃ under epitaxial strain revisited. Applied Physics Letters, 107, 102901, (2015)
• D. Comtesse, A. Hucht, M. E. Gruner, A. Maslovskaya, et al.
  Optimizing the magnetocaloric effect in Ni-Mn-Sn by substitution: A first-principles study. IEEE Transactions on Magnetics, 50, 2506004, (2014)
• V. Sokolovskiy, A. Grünebohm, V. Buchelnikov, P. Entel
  Ab initio and Monte Carlo approaches for the magnetocaloric effect in Co- and in-doped Ni-Mn-Ga Heusler alloys. Entropy, 16, 4992-5019, (2014)
• D. Comtesse, M. E. Gruner, M. Ogura, V. V. Sokolovskiy, et al.
  First-principles calculation of the instability leading to giant inverse magnetocaloric effects. Physical Review B - Condensed Matter and Materials Physics, 89, 184403, (2014)
• A. Grünebohm, P. Entel, H. C. Herper
  Ab initio study of the electronic and magnetic structure of the TiO₂ rutile (110)/Fe interface. Physical Review B, 88, 155401, (2013)
• A. Grünebohm, C. Ederer, P. Entel
  Reply to Comment on First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO₂. Physical Review B - Condensed Matter and Materials Physics, 88, 136102, (2013)
• A. Grünebohm, P. Entel, C. Ederer
  First-principles investigation of incipient ferroelectric trends of rutile TiO₂ in bulk and at the (110) surface. Physical Review B, 87, 054110, (2013)
• A. Grünebohm, A. Hucht, R. Meyer, D. Comtesse, P. Entel
  Simulation of cluster sintering, dipolar chain formation, and ferroelectric nanoparticulate systems. NanoScience and Technology, 79, 139-159, (2012)
• A. Grünebohm, M. Siewert, C. Ederer, P. Entel
  First-principles study of the influence of (110) strain on the ferroelectric trends of TiO₂. Ferroelectrics, 429, 31-42, (2012)
• A. Grünebohm
  An ab initio study on multicomponent polar oxide based systems in combination with ferromagnetic metals. PhD Thesis, Universität Duisburg-Essen, (2012)
• A. Grünebohm, C. Ederer, P. Entel
  First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO₂. Physical Review B, 84, 132105, (2011)
• A. Grünebohm, M. Siewert, H. C. Herper, M. E. Gruner, P. Entel
  A comparative study of (Fe, Fe₃Si)/GaAs and Heusler/MgO for spintronics applications. Journal of Physics: Conference Series, 200, 072038, (2010)

• 25.07.2024
  Anna Grünebohm
  Defects in ferroelectric oxides revisited invited
  The 20th International Conference on Diffusion in Solids and Liquids DSL 2024, Barcelona, Spain
• 02.05.2024
  Anna Grünebohm
  Defect dipoles in ferroelectrics - microscopic insights from ab initio based simulations
  Fundamental Physics of Ferroelectrics, Washington DC, USA
• 24.11.2023
  Anna Grünebohm
  Domain wall dynamcis in BaTiO3 revisited invited
  Theory seminar, University of Duisburg-Essen, Germany
• 14.06.2023
  Anna Grünebohm
  Domain wall dynamcis in BaTiO3 revisited invited
  Ecole Central Lyon, Physique de la mati, France
• 31.05.2023
  Anna Grünebohm, Aris Dimou, Ruben Khachaturyan, Sheng-Han Teng, et al.
  Interplay of domain structure, phase transitions and functional responses in ferroelectric (Ba,Sr)TiO₃ invited
  Symposium: Materials for energy conversion systems: fundamentals, designs, and applications at the EMRS Fall Meeting, Strasbourg, France
• 09.05.2023
  Anna Grünebohm
  Atomistische Simulationen zu ferroelektrischen Materialien invited
  Forum Produktion, Österreichische Forschungsförderungsgesellschaft, Steyer, Austria
• 23.04.2022
  Anna Grünebohm
  Domain wall dynamics in BaTiO₃ revisited invited
  Ferroelectric Domains and Domain Walls, The Northern Lights Edition, Hurtigruten, Norway
• 18.04.2023
  Anna Grünebohm
  Interplay of ferroelectric phase transitions domain structures and functional responses invited
  784. WE-Heraeus-Seminar, Physikzentrum Bad Honnef, Germany
• 17.04.2023
  Lan-Tien Hsu, Anna Grünebohm, Frank Wendler
  Field-direction-dependency of the electrocaloric effect
  784. WE-Heraeus-Seminar, Physikzentrum Bad Honnef, Germany
• 28.03.2023
  Sheng-Han Teng, Aris Dimou, Anna Grünebohm
  Impact of defect dipoles on ferroelectric domain-walls motion
  DPG Frühjahrstagung 2023, Dresden, Germany
• 27.03.2023
  Susanne Kunzmann, Thomas Hammerschmidt, Gabi Schierning, Anna Grünebohm
  Ab initio study of transition paths between (meta)stable phases of Nb and Ta-substitiuted Nb
  DPG Frühjahrstagung 2023, Dresden, Germany
• 07.02.2023
  Anna Grünebohm, Aris Dimou, Ruben Khachaturyan, Sheng-Han Teng, Pierre Hirel
  Multistep polarization switching on orthorhombic domain walls: a molecular dynamic study
  Fundamental Physics of Ferroelectrics and Related materials 2023, Colarado School of Mines, Golden, USA
• 14.11.2022
  Anna Grünebohm
  Interplay of ferroelectric domain walls, phase transitions and functional responses invited
  MaWi colloqium, TU Darmstadt, Germany
• 20.10.2022
  Anna Grünebohm
  New concepts for cooling: Origins of the inverse electrocaloric effect invited
  Kolloquium des Internationalen Graduiertenkollegs Energy Conversion Systems (IGK 2495), FAU Erlangen, Germany
• 20.10.2022
  Anna Grünebohm
  Origins of the inverse electrocaloric effect invited
  Lecture series of the Graduiertenkolleg IGK 2495, FAU Erlangen-Nürnberg, Germany
• 29.09.2022
  Anna Grünebohm
  Double hysteresis loops in Pb-fre ferroelectrics by microstructure design invited
  Materials Science and Engineering (MSE) Congress 2022, Darmstadt, Germany
• 27.09.2022
  Sheng-Han Teng, Chinwendu Anabaraonye, Lan-Tien Hsu, Madhura Marathe, Anna Grünebohm
  Impact of defects and microstructure on the ferroelectric phase diagram: ab initio based molecular dynamics studies
  Materials Science and Engineering (MSE) Congress 2022, Darmstadt, Germany
• 14.09.2022
  Anna Grünebohm
  Quasi-martensitic transitions in polar perovskites invited
  Electronic driving forces of martensitic phase transitions, Hamm, Germany
• 13.09.2022
  Anna Grünebohm
  Optimizing the electrocaloric effect by ab initio based simulations: the role of microstructure invited
  Calorics 2022, Cambridge UK
• 12.09.2022
  Anna Grünebohm
  Optimizing the electrocaloric effect by ab initio based simulations: the role of microstructure invited
  Calorics 2022 Conference, Cambridge, U.K.
• 08.09.2022
  Lan-Tien Hsu, Frank Wendler, Anna Grünebohm
  The relation between electrocaloric effect and non-collinear electric fields: a coarse-grained case study of BaTiO₃
  DPG Meeting of the Condensed Matter Section 2022, Universität Regensburg, Germany
• 07.09.2022
  Aris Dimou, Pierre Hirel, Anna Grünebohm
  Pinning of domain walls by strontium inclusions in BaTiO₃
  DPG Meeting of the Condensed Matter Section 2022, Universität Regensburg, Germany
• 05.09.2022
  Sheng-Han Teng, Anna Grünebohm
  Impact of point defects on the ferroelectric phase diagram: a molecular dynamics study on the defect arrangements
  DPG Meeting of the Condensed Matter Section 2022, Universität Regensburg, Germany
• 19.12.2021
  Anna Grünebohm
  New concepts for cooling: origins of the inverse electrocaloric effect invited
  Shiraz University, Iran, online event
• 06.12.2021
  Aris Dimou, Pierre Hirel, Anna Grünebohm
  The effect of Sr on the mobility of 180°domain walls in BaTiO₃
  4th Young Material Researchers Day, Bochum, Germany
• 22.11.2021
  Anna Grünebohm
  Hysteresis design of ferroelectric materials
  3rd Materials Chain International Conference (MCIC) 2021: Materials Discovery and Processing for Energy, Bochum, Germany, online event
• 16.11.2021
  Anna Grünebohm
  Interplay of domain structure, phase transitions and functional responses in ferroelectric BaTiO₃ invited
  Virtual Seminar Series "Time Man", Unversité de Lille, France, online event
• 09.11.2021
  Anna Grünebohm
  Hysteresis design of ferroelectric materials invited
  25th German Female Physicists’ Conference 2021, Universität Duisburg-Essen, online event
• 27.09.2021
  Anna Grünebohm
  Interplay of domain structure and phase transitions in ferroelectric BaTiO₃
  DPG Meeting SKM21, online event
• 17.02.2021
  Anna Grünebohm
  New concepts for cooling: origins of the inverse electrocaloric effect invited
  Virtual Colloquium IFC, Universidad Nacional Autónoma de México, Mexico
• 24.09.2020
  Anna Grünebohm
  Ab initio based optimization of functional ferroelectrics
  Materials Science and Engineering Congress 2020 online conference, TU Darmstadt, Germany
• 18.11.2019
  Anna Grünebohm
  New concepts for cooling: origins of the inverse electrocaloric effect invited
  Physikalisches Kolloquium, Ruhr-Universität Bochum, Germany
• 16.09.2019
  Ruben Khachaturyan, Anna Grünebohm
  Scalebridging simulation of functional composites
  Materials Chain Early Career Researchers’ Forum, TU Dortmund, Germany
• 16.07.2019
  Anna Grünebohm, Madhura Marathe
  Interplay of domain structure, phase transitions and functional responses
  F²cπ² joint conference, Lausanne, Switzerland
• 18.06.2019
  Anna Grünebohm, Claude Ederer
  Functional bubble domains in ferroelectric superlattices invited
  International Workshop on Topological Structures in Ferroic Materials, Prague, Czech Republic

Professional Experience

Since 2023
Spokesperson of the association "Crystalline Solids and their Microstructure" of the German Physical Society (DPG)

2021
Co-optation at Faculty of Physics and Astronomy, Ruhr-Universität Bochum

2020
NRW-Innovationspreis Land NRW

2020
Appointed Jun.-Prof. for "Modelling and Simulation for Materials Design", Faculty of Mechanical Engineering, ICAMS, Ruhr-Universität Bochum

Since 2019
Leader of Emmy Noether Group "Scalebridging simulation of functional composites", ICAMS, Ruhr-Universität Bochum

2015-2019
PI "First-principles simulation of magnetocaloric and electrocaloric effects in nanostructured films"

2012-2018
SPP "Ferroic Cooling", Universität Duisburg-Essen

2008-2012
SFB 445 "Nanoparticles from the Gas Phase", Universität Duisburg-Essen

Education

2012. Ph.D., Physics, Universität Duisburg-Essen

2008. Dipl.-Phys., Physics, Universität Duisburg-Essen