Publications

Bauer, S., P. Benner, T. Bereau, V. Blum, M. Boley, C. Carbogno, C.R.A. Catlow, G. Dehm, S. Eibl, R. Ernstorfer, A. Fekete, L. Foppa, P. Fratzl, C. Freysoldt, B. Gault, L.M. Ghiringhelli, S.K. Giri, A. Gladyshev, P. Goyal, J. Hattrick-Simpers, L. Kabalan, P. Karpov, M.S. Khorrami, C. Koch, S. Kokott, T. Kosch, I. Kowalec, K. Kremer, A. Leitherer, Y. Li, C.H. Liebscher, A.J. Logsdail, Z. Lu, F. Luong, A. Marek, F. Merz, J.R. Mianroodi, J. Neugebauer, Z. Pei, T. Purcell, D. Raabe, M. Rampp, M. Rossi, J.-M. Rost, J.E. Saal, U. Saalmann, K.N. Sasidhar, A. Saxena, L. Sbailo, M. Scheidgen, M. Schloz, D.F. Schmidt, S. Teshuva, A. Trunschke, Y. Wei, G. Weikum, R.P. Xian, Y. Yao, J. Yin, M. Zhao and M. Scheffler: Roadmap on data-centric materials science. Modelling and Simulation in Materials Science and Engineering 32 (6), 063301 (2024).

Moshantaf, A., M. Wesemann, S. Beinlich, H. Junkes, J. Schumann, B. Alkan, P. Kube, C.P. Marshall, N. Pfister and A. Trunschke: Advancing catalysis research through FAIR data principles implemented in a local data infrastructure - a case study of an automated test reactor. Catalysis Science & Technology, in press.

Tarasov, A., S. Wrabetz, J. Kröhnert, F. Rosowski, R. Schlögl and A. Trunschke: Energy Maps of Complex Catalyst Surfaces. ACS Catalysis 14 (16), 12581–12591 (2024).

Koch, G., G. Bellini, F. Girgsdies, M. Hävecker, S. Carey, O. Timpe, T. Götsch, T. Lunkenbein, G. Auffermann, A. Tarasov, R. Schlögl and A. Trunschke: Structural Analysis and Redox Properties of Oxygen-“Breathing” A(Mn_1–xCu_x)O₃ (A = La, Pr) Perovskites. Chemistry of Materials 36 (11), 5388–5404 (2024).

Masliuk, L., K. Nam, M.W. Terban, Y. Lee, P. Kube, D. Delgado Muñoz, F. Girgsdies, K. Reuter, R. Schlögl, A. Trunschke, C. Scheurer, M. Zobel and T. Lunkenbein: Linking Bulk and Surface Structures in Complex Mixed Oxides. ACS Catalysis 14 (11), 9018–9033 (2024).