S. Kolin, and K. Pluhackova. Dataset, (2025)Related to: Z. Dilruba, A.D. Yeganeh, S. Kolin, S. Noor, H. Shatla, C. Wieland, B.-H. Yu, K. Gugeler, A. Zens, J. Kästner, D. P. Estes, K. Pluhackova, S. Krause, S. Laschat. (2024). Linker-Cluster Cooperativity in Confinement of Proline-Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction. doi: 10.26434/chemrxiv-2024-47660.
K. Pluhackova, C. Pfaendner, B. Unger, and V. Korn. Software, (2025)Related to: Pfaendner, C., Korn, V., Gogoi, P., Unger, B., Pluhackova, K. (2025). ART-SM: Boosting Fragment-Based Backmapping by Machine Learning. Journal of Chemical Theory and Computation. doi: 10.1021/acs.jctc.5c00189.
L. Duvenbeck, C. Riethmüller, and C. Rohde. Software, (2025)Related to: Lennart Duvenbeck, Cedric Riethmüller, Christian Rohde. (2025). Data-driven geometric parameter optimization for PD-GMRES. arXiv: 2503.09728.
S. Kolin, M. Marquardt, G. Fläschner, S. Naumann, and K. Pluhackova. Dataset, (2025)Related to: Molecular determinants of solvent nanoseparation by nanoporous carbon materials Sofia Kolin, Moritz G. Marquardt, Gotthold Fläschner, Stefan Naumann, and Kristyna Pluhackova.