Shiotari, A.; Liu, S.; Trenins, G.; Sugimoto, T.; Wolf, M.; Rossi, M.; Kumagai, T.: Picocavity-enhanced Raman spectroscopy of physisorbed H₂ and D₂ molecules. (2024)

Shiotari, A.; Nishida, J.; Hammud, A.; Schulz, F.; Wolf, M.; Kumagai, T.; Müller, M.: Picocavity-enhanced near-field optical microscopy with 1 nm resolution. (2024)

Sugathan Nair, A.; Foppa, L.; Scheffler, M.: Materials-Discovery Workflows Guided by Symbolic Regression: Identifying Acid-Stable Oxides for Electrocatalysis. (2024)

Tømterud, M.; Eder, S. D.; Büchner, C.; Heyde, M.; Freund, H.-J.; Simonsen, I.; Manson, J. R.; Holst, B.: Observation of the Boson Peak in a 2D Material. (submitted)

Vinayakumar, V.; Wagner, T.; Marcks, C.; Johny, J.; Wartner, G.; Tesch, M. F.; Spanos, I.; Ghafari, A.; Jain, A.; Prymak, O. et al.; Sanjuán, I.; Odungat, A. S.; Anwar, O.; Chatwani, M.; Jose, A.; Chanda, V.; Knop-Gericke, A.; Andronescu, C.; Mechler, A. K.; Wöhrl, N.; Segets, D.: Ni-Co-O anodes for the alkaline oxygen evolution reaction: Multistage electrode optimization and plasma-assisted activity enhancement enabled by a coherent workflow. (2024)

Akkoush, A.; Litman, Y.; Rossi, M.: A Hybrid-DFT Study of Intrinsic Point Defects in MX₂ (M=Mo, W; X=S, Se) Monolayers. (2023)

Boley, M.; Luong, F.; Teshuva, S.; Schmidt, D. F.; Foppa, L.; Scheffler, M.: From Prediction to Action: The Critical Role of Proper Performance Estimation for Machine-Learning-Driven Materials Discovery. (2023)

Foppa, L.; Scheffler, M.: Towards a Multi-Objective Optimization of Subgroups for the Discovery of Materials with Exceptional Performance. (2023)

Lu, S.; Ghiringhelli, L. M.; Carbogno, C.; Wang, J.; Scheffler, M.: On the Uncertainty Estimates of Equivariant-Neural-Network-Ensembles Interatomic Potentials. (2023)

Schröder, C.; Riemensberger, J.; Kuzian, R.; Ossiander, M.; Potamianos, D.; Allegrett, F.; Bignardi, L.; Lizzit, S.; Akil, A.; Cavalieri, A. et al.; Menzel, D.; Neppl, S.; Ernstorfer, R.; Braun, J.; Ebert, H.; Minar, J.; Helml, W.; Jobst, M.; Gerl, M.; Bothschafter, E.; Kim, A.; Hütten, K.; Kleineberg, U.; Schnitzenbaumer, M.; Barth, J.; Feulner, P.; Krasovskii, E.; Kienberger, R.: Attosecond dynamics of photoemission over a wide photon energy range. (2023)

Speckhard, D.; Carbogno, C.; Ghiringhelli, L. M.; Lubeck, S.; Scheffler, M.; Draxl, C.: Extrapolation to complete basis-set limit in density-functional theory by quantile random-forest models. (2023)

Landini, E.; Reuter, K.; Oberhofer, H.: Machine-learning Based Screening of Lead-free Halide Double Perovskites for Photovoltaic Applications. (2022)

Schumann, T.; Kleinke, T.; Braun, L.; Meyer, N.; Mussler, G.; Kampmeier, J.; Grützmacher, D.; Schmoranzerova, E.; Olejník, K.; Reichlová, H. et al.; Heiliger, C.; Denker, C.; Walowski, J.; Kampfrath, T.; Münzenberg, M.: Circular photogalvanic effects in topological insulator/ferromagnet hybrid structures. (2022)

Trunk, M.; Li, G.; Kücukkececi, H.; Burmeister, D.; Obermeier, M.; Tanda Bonkano, B.; Schwalbe, M.; Thomas, A.; Bojdys, M.: Sulfur- and boron-containing porous donor-acceptor polymers for photocatalytic hydrogen evolution. (2022)

Boley, M.; Scheffler, M.: Learning Rules for Materials Properties and Functions. (2021)

Ghiringhelli, L. M.: Interpretability of machine-learning models in physical sciences. (2021)

Hermann, K.: Structure and Morphology of Crystalline Metal Nanoparticles: Polyhedral Cubic Particles. (2021)

Neumann, F.; Margraf, J.; Reuter, K.; Bruix, A.: Interplay between shape and composition in bimetallic nanoparticles revealed by an efficient optimal-exchange optimization algorithm. (2021)

Xian, R. P.; Ernstorfer, R.; Pelz, P. M.: Scalable multicomponent spectral analysis for high-throughput data annotation. (2021)

Ciuciulkaite, A.; Gückstock, O.; Ravensburg, A.; Pohlit, M.; Warnatz, T.; Kampfrath, T.; Schmidt, G.; Papaioannou, E. T.; Kapaklis, V.: Enhanced THz emission from spintronic Fe/Pt emitters through crystal growth optimization. (2020)