Dsouza, R.; Poul, M.; Huber, L.; Swinburne, T. D.; Neugebauer, J.: Sampling-free computation of finite temperature material properties in isochoric and isobaric ensembles using the mean-field anharmonic bond model. Physical Review B 109, 064108 (2024)

Hieke, S. W.; Frank, A.; Duarte, M. J.; Gopalan, H.; Patil, P.; Wetegrove, M.; Rohloff, M.; Kruth, A.; Pistidda, C.; Dornheim, M. et al.; Taube, K.; Dehm, G.; Scheu, C.: Stability and Failure Mechanisms of Al₂O₃|Al Bilayer Coatings Exposed to 300 Bar Hydrogen at 673 K. Advanced Engineering Materials 26 (4), 2300619 (2024)

Neuß, D.; McCaroll, I.; Zhang, S.; Woods, E.; Delis, W. J.; Tanure, L.; Springer, H.; Sandlöbes, S.; Yang, J.; Todorova, M. et al.; Zander, D.; Scheu, C.; Schneider, J. M.; Hans, M.: High-resolution chemical and structural characterization of the native oxide scale on a Mg-based alloy. Corrosion Science 227, 111776 (2024)

Schneider, M.; Couzinie, J.-P.; Shalabi, A.; Ibrahimkhel, F.; Ferrari, A.; Koermann, F.; Laplanche, G.: Effect of stacking fault energy on the thickness and density of annealing twins in recrystallized FCC medium and high-entropy alloys. Scripta Materialia 240, 115844 (2024)

Freter, L.; Lymperakis, L.; Schnedler, M.; Eisele, H.; Jin, L.; Liu, J.; Sun, Q.; Dunin-Borkowski, R. E.; Ebert, P.: Composition dependence of intrinsic surface states and Fermi-level pinning at ternary AlxGa1−xN m-plane surfaces. Journal of Vacuum Science & Technology A 42 (2), 023202 (2024)

Best, J. P.; Kanjilal, A.; Ghafarollahi, A.; Rehman, U.; Tian, C.; Bishara, H.; Bhat, M. K.; Christiansen, L.; Bitzek, E.; Stein, F. et al.; Dehm, G.: Fracture of the C15 CaAl₂ Laves phase at small length scales. Journal of Materials Science 59, S. 12677 - 12694 (2024)

Geng, X.; Vega-Paredes, M.; Lu, X.; Chakraborty, P.; Li, Y.; Scheu, C.; Wang, Z.; Gault, B.: Concave Grain Boundaries Stabilized by Boron Segregation for Efficient and Durable Oxygen Reduction. Advanced Materials, 2404839 (2024)

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)