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)

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)

Shi, B. X., Zen, A., Kapil, V., Nagy, P. R., Grüneis, A., & Michaelides, A. (2023). Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments. Journal of the American Chemical Society, 145(46), 25372–25381. https://doi.org/10.1021/jacs.3c09616 ( reposiTUm)

Salihbegović, F., Gallo, A., & Grüneis, A. (2023). Formation energies of silicon self-interstitials using periodic coupled cluster theory. Physical Review B, 108(11), Article 115125. https://doi.org/10.1103/PhysRevB.108.115125 ( reposiTUm)

Salihbegović, F., Gallo, A., & Grüneis, A. (2022). Coupled cluster theory for the ground and excited states of two-dimensional quantum dots. Physical Review B, 105(11), Article 115111. https://doi.org/10.1103/PhysRevB.105.115111 ( 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)

Grüneis, A. (2023). Coupled-cluster theory for complex solids made ready. In Deutsche Physikalische Gesellschaft (Ed.), VERHANDLUNGEN der Deutschen Physikalischen Gesellschaft (pp. 304–304). ( reposiTUm)

Grüneis, A. (2022, June 24). CC theory for solids [Conference Presentation]. NOMAD INDUSTRY WORKSHOP, Germany. ( reposiTUm)