| Introducing memory in coarse-grained molecular simulations V Klippenstein, M Tripathy, G Jung, F Schmid, NFA van der Vegt The Journal of Physical Chemistry B 125 (19), 4931-4954, 2021 | 76 | 2021 |
| Cross-correlation corrected friction in (generalized) Langevin models V Klippenstein, NFA van der Vegt The Journal of Chemical Physics 154 (19), 2021 | 17 | 2021 |
| Bottom-up informed and iteratively optimized coarse-grained non-Markovian water models with accurate dynamics V Klippenstein, NFA van der Vegt Journal of Chemical Theory and Computation 19 (4), 1099-1110, 2023 | 9 | 2023 |
| Cross-correlation corrected friction in generalized Langevin models: Application to the continuous Asakura–Oosawa model V Klippenstein, NFA van der Vegt The Journal of Chemical Physics 157 (4), 2022 | 7 | 2022 |
| Chemical bonding in initial building blocks of semiconductors: Geometrical structures and optical absorption spectra of isolated CdSe2+ and Cd2Se2+ species M Jäger, A Shayeghi, V Klippenstein, RL Johnston, R Schäfer The Journal of Chemical Physics 149 (24), 2018 | 7 | 2018 |
| Dynamical coarse-grained models of molecular liquids and their ideal and non-ideal mixtures M Tripathy, V Klippenstein, NFA Van der Vegt The Journal of Chemical Physics 159 (9), 2023 | 2 | 2023 |
| A Gauss-Newton method for iterative optimization of memory kernels for generalized Langevin thermostats in coarse-grained molecular dynamics simulations V Klippenstein, N Wolf, NFA van der Vegt arXiv preprint arXiv:2402.10652, 2024 | | 2024 |
| Data of the publication: Bottom-up Informed and Iteratively Optimized Coarse-Grained Non-Markovian Water Models With Accurate Dynamics. V Klippenstein, N van der Vegt | | 2022 |
Nico van der VegtProfessor of Physical Chemistry, Technical University of DarmstadtVerified email at cpc.tu-darmstadt.de
