Moerman, E., Miranda, H., Gallo, A., Irmler, A., Schäfer, T., Hummel, F., Engel, M., Kresse, G., Scheffler, M., & Grüneis, A. (2025). Exploring the accuracy of the equation-of-motion coupled-cluster band gap of solids. Physical Review B, 111(12), Article L121202. https://doi.org/10.1103/PhysRevB.111.L121202 ( reposiTUm)

Moerman, E., Gallo, A., Irmler, A., Schäfer, T., Hummel, F., Grüneis, A., & Scheffler, M. (2025). Finite-Size Effects in Periodic EOM-CCSD for Ionization Energies and Electron Affinities: Convergence Rate and Extrapolation to the Thermodynamic Limit. Journal of Chemical Theory and Computation, 21(4), 1865–1878. https://doi.org/10.1021/acs.jctc.4c01451 ( reposiTUm)

Weiske, H., Pecher, L., Gallo, A., Irmler, A., Hummel, F., Grüneis, A., & Tonner-Zech, R. (2025). Adsorption energies on extended surfaces with CCSD(T) quality: ethylene on Si(001). Molecular Physics, Article e2602647. https://doi.org/10.1080/00268976.2025.2602647 ( reposiTUm)

Masios, N., Hummel, F., Grüneis, A., & Irmler, A. (2024). Investigating the Basis Set Convergence of Diagrammatically Decomposed Coupled-Cluster Correlation Energy Contributions for the Uniform Electron Gas. Journal of Chemical Theory and Computation, 20(14), 5937–5950. https://doi.org/10.1021/acs.jctc.4c00224 ( reposiTUm)

Friedeheim, L., Hummel, F., Dyre, J. C., & Bailey, N. P. (2024). Estimating melting curves for Cu and Al from simulations at a single state point. Physical Review B, 109(10), Article 104109. https://doi.org/10.1103/PhysRevB.109.104109 ( reposiTUm)

Koch, B., & Hummel, F. (2024). Exciting hint toward the solution of the neutron lifetime puzzle. Physical Review D, 110(7), Article 073004. https://doi.org/10.1103/PhysRevD.110.073004 ( reposiTUm)

Herzog, B., Gallo, A., Hummel, F., Badawi, M., Bučko, T., Lebègue, S., Grüneis, A., & Rocca, D. (2024). Coupled cluster finite temperature simulations of periodic materials via machine learning. Npj Computational Materials, 10(1), 1–7. https://doi.org/10.1038/s41524-024-01249-y ( reposiTUm)

Hummel, F. (2023). On the chemical potential of many-body perturbation theory in extended systems. Journal of Chemical Theory and Computation, 19(5), 1568–1581. https://doi.org/10.1021/acs.jctc.2c01043 ( reposiTUm)

Moerman, E., Hummel, F., Grüneis, A., Irmler, A., & Scheffler, M. (2022). Interface to high-performance periodic coupled-clustertheory calculations with atom-centered, localized basisfunctions. Journal of Open Source Software, 7(74), Article 4040. https://doi.org/10.21105/joss.04040 ( reposiTUm)

Gallo, A., Hummel, F., Irmler, A., & Grüneis, A. (2021). A periodic equation-of-motion coupled-cluster implementation applied to F-centers in alkaline earth oxides. The Journal of Chemical Physics, 154(6), 064106. https://doi.org/10.1063/5.0035425 ( reposiTUm)

Schäfer, T., Gallo, A., Irmler, A., Hummel, F., & Grüneis, A. (2021). Surface science using coupled cluster theory via local Wannier functions and in-RPA-embedding: The case of water on graphitic carbon nitride. The Journal of Chemical Physics, 155(24), 244103. https://doi.org/10.1063/5.0074936 ( reposiTUm)

Hummel, F., Grüneis, A., Kresse, G., & Ziesche, P. (2019). Screened exchange corrections to the random phase approximation from many-body perturbation theory. Journal of Chemical Theory and Computation, 15(5), 3223–3236. https://doi.org/10.1021/acs.jctc.8b01247 ( reposiTUm)

Irmler, A., Gallo, A., Hummel, F., & Grüneis, A. (2019). Duality of Ring and Ladder Diagrams and Its Importance for Many-Electron Perturbation Theories Authors. Physical Review Letters, 123(156401). https://doi.org/10.1103/physrevlett.123.156401 ( reposiTUm)

Hummel, F. (2018). Finite Temperature Coupled Cluster Theories for Extended Systems. Journal of Chemical Theory and Computation, 14(12), 6505–6514. https://doi.org/10.1021/acs.jctc.8b00793 ( reposiTUm)

Gruber, T., Liao, K., Tsatsoulis, T., Hummel, F., & Grüneis, A. (2018). Applying the Coupled-Cluster Ansatz to Solids and Surfaces in the Thermodynamic Limit. Physical Review X, 8(021043). https://doi.org/10.1103/physrevx.8.021043 ( reposiTUm)

Grüneis, A., Irmler, A., Schäfer, T., Hummel, F., Masios, N., & Martinez-Soria Gallo, A. A. (2023). Towards Chemical Accuracy for Surface Chemistry Using Coupled-Cluster Theory. In X. Ren (Ed.), The IOP-FHI workshop on the frontiers of electronic-structure theory and materials genomics: Book of Abstracts (pp. 24–24). http://hdl.handle.net/20.500.12708/194246 ( reposiTUm)

Hummel, F. (2022). Schwarze Löcher - Ist das Universum eine Scheibe? [Presentation]. EuRegio Sommerakademie Holzleithen, Salzburg, AT, Holzleithen, Salzburg, Austria. ( reposiTUm)

Hummel, F. (2018). Observable calculation in zero and finite-temperature Many-body perturbation theory. Workshop on “Many-body perturbation theories in modern quantum chemistry and nuclear physics,” Paris, France. http://hdl.handle.net/20.500.12708/134537 ( reposiTUm)

Hummel, F. (2018). Finite temperature coupled cluster methods for extended systems. International Conference on Mathematical Methods in Science and Engineering (CMMSE), Cadiz, Spain. http://hdl.handle.net/20.500.12708/134538 ( reposiTUm)