Friák, M.; Sander, B.; Raabe, D.; Neugebauer, J.: Theory-guided design of Ti-based binaries for human implants. Second Workshop on Theory meets Industry, Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12. Juni 2007 - 14. Juni 2007. Journal of Physics-Condensed Matter (6), 064221, (2008)

Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures using a soft phonon analysis for magnetic shape memory alloys. Second Workshop on Theory meets Industry, Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12. Juni 2007 - 14. Juni 2007. Journal of Physics-Condensed Matter (6), 064219, (2008)

Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures by a soft-phonon analysis in Ni₂MnGa. MRS Fall Meeting 2007, Boston, MA, USA, 26. November 2007 - 30. November 2007. Magnetic Shape Memory Alloys, (2008)

Nikolov, S.; Sachs, C.; Fabritius, H.; Raabe, D.; Petrov, M.; Friak, M.; Neugebauer, J.; Lymperakis, L.; Ma, D.: Hierarchical modeling of the mechanical properties of lobster cuticle from nano‐ up to macroscale: The influence of the mineral content and the microstructure. In: Proceedings of MMM 2008 "Computational Modeling of biological and soft condensed matter systems", S. 667 - 670. 4th International Conference on Multiscale Materials Modeling, Tallahassee, FL, USA, 27. Oktober 2008 - 31. Oktober 2008. Dep. of Scientific Computing, Florida State University, USA (2008)

Kenmoe, S.; Todorova, M.; Biedermann, P. U.; Neugebauer, J.: Impact of the vapour pressure of water on the equilibrium shape of ZnO nanoparticles: An ab-initio study. In APS March Meeting 2014, abstract #Q2.009. APS March Meeting 2014 , Denver, CO, USA, 03. März 2014 - 07. März 2014. (2014)

Kenmoe, S.; Todorova, M.; Biedermann, P. U.; Neugebauer, J.: Impact of the vapour pressure of water on the equilibrium shape of ZnO nanoparticles: An ab-initio study. In DPG Spring Meeting 2014, Abstract: O50.6. DPG Spring Meeting 2014 , Dresden, Germany, 30. März 2014 - 04. April 2015. (2014)

Dsouza, R.; Huber, L.; Swinburne, T. D.; Neugebauer, J.: Sampling-free thermodynamics in bulk crystalline metals from the mean-field anharmonic bond model. The 11th International Conference on Multiscale Materials Modeling, Prague, Czech Republic (2024)

Freysoldt, C.; Saxena, A.; Wang, N.; Sreekala, L.; Saikia, U.; Gault, B.; Liebscher, C.: Automated Analysis of data-rich experiments for microstructure imaging. Material Science and Engineering 2024 (MSE24), Darmstadt, Germany (2024)

Todorova, M.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: Atomic insights into fundamental processes at electrochemical solid/liquid interface by ab initio calculations. 38th Topical Meeting of the International Society of Electrochemistry: Nanomaterials in Electrochemistry, Manchester, UK (2024)

Todorova, M.; Yang, J.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: Advancing Electrochemical Insights: Ab Initio Control and Realistic Description of Solid-Liquid Interfaces. 11th International Conference on Multiscale Materials Modeling, Prague, Czech Republic (2024)

Bitzek, E.: Defects & Microstructure: Investigating the Atomic-Scale Origins of Toughness and Strength. Joint seminar of the Divisions of Energy and Materials, Dept. of Chemistry and Microstructure Physics, and the Dept of Physics, Chalmers University of Technology, Gothenburg, Sweden (2024)

Bitzek, E.: Atoms, Defects & Microstructure: Investigating the Atomic-Scale Origins of Toughness and Strength. Joint seminar of the Divisions of Energy and Materials, Dept. of Chemistry and Microstructure Physics, and the Dept of Physics, Chalmers University of Technology, Gothenburg, Sweden (2024)

Neugebauer, J.; Hickel, T.; Körmann, F.; Todorova, M.: Materials design and discovery in high-dimensional chemical and structural configuration spaces. Psi-k 2020 Conference, Lausanne, Switzerland (2024)

Neugebauer, J.; Yang, J.; Wang, Z.; Wippermann, S. M.; Todorova, M.: Challenges in developing machine learning potentials for fully explicit modeling of solid-liquid electrochemical interfaces. CECAM Workshop "Machine Learning Potentials: From Interfaces to Solution", Ruhr-University-Bochum, Bochum, Germany (2024)

Saxena, A.; Polin, N.; Kühbach, M. T.; Katnagallu, S.; Kontis, P.; Gault, B.; Freysoldt, C.: A Machine Learning based Workflows to Quantify Atom Probe Tomography Data. Workshop "Frontiers of APT Physics, Data Processing, Analysis and Reconstruction“, Arlington, VA, USA (2024)

Todorova, M.; Surendralal, S.; Yang, J.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: Advancing Electrochemical Insights: Ab Initio Control and Realistic Description of Solid-Liquid Interfaces. 75th ISE Annual Meeting, Montreal, CA, USA (2024)

Todorova, M.; Yang, J.; Yoo, S.-H.; Surendralal, S.; Deißenbeck, F.; Wippermann, S. M.; Neugebauer, J.: Insights into stability, reactivity and degradation of electrified solid/liquid interfaces from ab initio calculations. Lorenz Workshop on "Multiscale modeling of electrochemical processes", Leiden, The Netherlands (2024)

Zhou, X.; Hickel, T.; Gault, B.; Ophus, C.; Liebscher, C.; Dehm, G.; Raabe, D.: Exploring the Relationship Between Grain Boundary Structure and Chemical Composition at the Atomic Level. International Conference on Intergranular and Interphase Boundaries in Materials (IIB 2024), Beijing, China (2024)

Todorova, M.: Future directions in materials from modelling. Future directions in materials research in Europe organised by the Materials Australia VIC-TAS Branch/RMIT Europe, Online (2024)

Zhang, S.; Yu, Y.; Jung, C.; Wang, Z.; Mattlat, D. A.; Abdellaoui, L.; Scheu, C.: In situ microstructural observation and electrical transport measurements of PbTe thermoelectrics by transmission electron microscopy. International Conference on Thermoelectrics ICT, Krakow, Poland (2024)