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Moerman, E., H. Miranda, A. Gallo, A. Irmler, T. Schäfer, F. Hummel, M. Engel, G. Kresse, M. Scheffler and A. Grüneis: Exploring the accuracy of the equation-of-motion coupled-cluster band gap of solids. Physical Review B 111 (12), L121202 (2025).

Müller, A., P.-M. Hillenbrand, S.-X. Wang, S. Schippers, I. Bray, A.S. Kheifets, E. Lindroth, S. Reinwardt, M. Martins, J. Seltmann and F. Trinter: Direct double ionization of the He-like B³⁺ ion by a single photon. Physical Review A 111 (2), 023115 (2025).

Pan, Y., P.-N. Hildebrandt, D. Zahn, M. Zacharias, Y.W. Windsor, R. Ernstorfer, F. Caruso and H. Seiler: Momentum-Resolved Signatures of Carrier Screening Effects on Electron-Phonon Coupling in MoS₂. ACS Nano 19 (11), 11381–11389 (2025).

Park, J.-H., K. Nam, Y.K. Cho, M.S. Arai, D.-H. Kim and H. Lee: Mercury(II) Ion Sensing through in Situ Synthesis of Gold Nanoparticles. ACS Applied Nano Materials 8 (12), 6025–6034 (2025).

Pillai, H.S., H. Heenen, K. Reuter and V.J. Bukas: Bridging the scales within transport-coupled kinetic models for heterogeneous electrocatalysis. Current Opinion in Electrochemistry 49, 101631 (2025).

Poltavsky, I., M. Puleva, A. Charkin-Gorbulin, G. Fonseca, I. Batatia, d N.J. Browning, S. Chmiela, M. Cui, J.T. Frank, S. Heinen, B. Huang, S. Käser, A. Kabylda, D. Khan, C. Müller, A.J.A. Price, K. Riedmiller, K. Töpfer, T.W. Ko, M. Meuwly, M. Rupp, G. Csányi, O.A. von Lilienfeld, J.T. Margraf, K.-R. Müller and A. Tkatchenko: Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023. Chemical Science 16 (8), 3738–3754 (2025).

Poths, P., K.C. Lai, F. Cannizzaro, C. Scheurer, S. Matera and K. Reuter: ML-Accelerated Automatic Process Exploration Reveals Facile O-Induced Pd Step-Edge Restructuring on Catalytic Time Scales. ACS Catalysis 15 (1), 514–522 (2025).

Presel, F., J. Paier, F.C. Calaza, N. Nilius, M. Sterrer and H.-J. Freund: Complexity of CO2 Activation and Reaction on Surfaces in Relation to Heterogeneous Catalysis: A Review and Perspective. Topics in Catalysis, in press.

Purcel, M., A.S. Müller, P. Diehl, K. Kappis, A. Trunschke and M. Muhler: Long-Term Stability of Ammonia Decomposition over Nickel-Based Catalysts. Energy Technology 13 (2), 2400678 (2025).

Qureshi, M.U., S. Matera, D. Runge, C. Merdon, J. Fuhrmann, J.-U. Repke and G. Brösigke: Reduced order CFD modeling approach based on the asymptotic expansion-An application for heterogeneous catalytic systems. Chemical Engineering Journal 504, 158684 (2025).

Rivera-Arrieta, H.I. and L. Foppa: Rules Describing CO₂ Activation on Single-Atom Alloys from DFT-Meta-GGA Calculations and Artificial Intelligence. ACS Catalysis 15 (4), 2916–2926 (2025).

Rüscher, M., J.B. Jang, A. Martini, P. Bischoff, W. Frandsen, J. Timoshenko and B. Roldan Cuenya: Laboratory-Based Time-Resolved In Situ X-Ray Absorption Spectroscopy for Tracking Transformations of Working Electrocatalysts. Chemistry Europe 2500016 (2025).

Scheurer, C. and K. Reuter: Role of the human-in-the-loop in emerging self-driving laboratories for heterogeneous catalysis. Nature Catalysis 8 (1), 13–19 (2025).

Seo, J., D. Kim, S. Gewinner, W. Schöllkopf, M.T. Bowers, K. Pagel and G.von Helden: Infrared multiple photon dissociation spectroscopy of protonated amino acid clusters with non-interacting side chains in the gas phase. International Journal of Mass Spectrometry 508, 117394 (2025).

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Stemer, D., S. Thürmer, F. Trinter, U. Hergenhahn, M. Pugini, B. Credidio, S. Malerz, I. Wilkinson, L. Nahon, G. Meijer, I. Powis and B. Winter: Photoelectron circular dichroism of aqueous-phase alanine. Chemical Science, in press.

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Travnikova, O., F. Trinter, M. Agåker, G. Visentin, J. Andersson, L. Kjellsson, I. Ismail, N. Velasquez, D. Koulentianos, M. Harder, Z. Yin, J. Söderström, T. Marchenko, R. Guillemin, O.D. McGinnis, H. Ågren, S. Fritzsche, M. Simon, J.-E. Rubensson and J. Nordgren: Neutral Sulfur Atom Formation in Decay of Deep Core Holes in SF6. Physical Review Letters 134 (6), 063003 (2025).

Tschammer, R., L. Buß, E. Pożarowska, C. Morales, S.D. Senanayake, M. Prieto, L.C. Tanase, L.de S. Caldas, A. Tiwari, T. Schmidt, M.A. Niño, M. Foerster, J. Falta and J.I. Flege: High-Temperature Growth of CeO_x on Au(111) and Behavior under Reducing and Oxidizing Conditions. The Journal of Physical Chemistry C 129 (7), 3583–3594 (2025).

van der Merwe, M., Y. Lee, R.E. Wibowo, T. Kokumai, A. Efimenko, M.D. Arce, C.E. Jimenez, B. Howchen, R. Suarez Anzorena, I. Lucentini, C. Escudero, G. Schuck, Z. Kochovski, M. Favaro, D. E. Starr, K. Reuter, C. Scheurer, M. Bär and R. Garcia-Diez: Unravelling the mechanistic complexity of the oxygen evolution reaction and Ir dissolution in highly dimensional amorphous hydrous iridium oxides. Energy & Environmental Science 18 (3), 1214–1231 (2025).

Vuijk, M., G. Ducci, L. Sandoval, M. Pietsch, K. Reuter, T. Lunkenbein and C. Scheurer: Physics-Based Synthetic Data Model for Automated Segmentation in Catalysis Microscopy. Microscopy and Microanalysis 31 (1), ozae130 (2025).

Wiedenhaupt, H., F. Schulz, L. Parra Lopez, A. Hammud, Y. Park, A. Shiotari, T. Kumagai, M. Wolf and M. Müller: Plasmonic Light Emission by Inelastic Charge Transport in Ultrathin Zinc Oxide/Metal Heterostructures. Nano Letters 25 (7), 2870–2877 (2025).

Yoon, A., L. Bai, F. Yang, F. Franco, C. Zhan, M. Rüscher, J. Timoshenko, C. Pratsch, S. Werner, H. Jeon, M.C.O. Monteiro, S.W. Chee and B. Roldan Cuenya: Revealing catalyst restructuring and composition during nitrate electroreduction through correlated operando microscopy and spectroscopy. Nature Materials, in press.

Zhu, J., S.K. Shaikhutdinov and B. Roldan Cuenya: Structure-reactivity relationships in CO₂ hydrogenation to C₂₊ chemicals on Fe-based catalysts. Chemical Science 16 (3), 1071–1092 (2025).

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