| Systematic evaluation of ReaxFF reactive force fields for biochemical applications E Moerman, D Furman, DJ Wales Journal of Chemical Theory and Computation 17 (1), 497-514, 2020 | 7 | 2020 |
| Development of ReaxFF Reactive Force Field for Aqueous Iron–Sulfur Clusters with Applications to Stability and Reactivity in Water E Moerman, D Furman, DJ Wales Journal of Chemical Information and Modeling 61 (3), 1204-1214, 2021 | 3 | 2021 |
| Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions E Moerman, F Hummel, A Grüneis, A Irmler, M Scheffler Journal of Open Source Software 7 (74), 4040, 2022 | 2 | 2022 |
| Interface to high-performance periodic coupled-cluster theory calculations with atom-centered, localized basis functions E Moerman, F Hummel, A Grüneis, A Irmler, M Scheffler arXiv preprint arXiv:2204.06361, 2022 | 2 | 2022 |
| Lieb–Oxford bound and pair correlation functions for density-functional methods based on the adiabatic-connection fluctuation-dissipation theorem J Erhard, S Fauser, S Kalaß, E Moerman, E Trushin, A Görling Faraday Discussions 224, 79-97, 2020 | 1 | 2020 |
| Periodic coupled-cluster theory for the ground and excited states with atom-centered basis functions E Moerman, M Scheffler, F Hummel, A Irmler, A Gallo, A Grüneis Bulletin of the American Physical Society, 2024 | | 2024 |
| Quantum Chemistry methods for materials science M Scheffler, IY Zhang | | 2022 |
| An Open-Source Interface to MP2 and Coupled-Cluster Methods for Solids for Localized Basis Set Codes E Moerman NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights …, 0 | | |
| Poster List 2023 of The NOMAD Laboratory S Kokott, F Merz, C Carbogno, A Marek, P Karpov, M Rossi, M Rampp, ... | | |
| Periodic Coupled-Cluster Theory with Atom-Centered Basis Functions in FHI-Aims E Moerman, F Hummel, A Irmler, A Gallo, A Grüneis, M Scheffler Organized by, 83, 0 | | |
