Publications

Here we list the publications which have resulted from work of members of this group (since 2020).

  1. 2023

    1. S. Gravelle, S. Haber-Pohlmeier, C. Mattea, S. Stapf, C. Holm, and A. Schlaich, “Preprint: NMR Investigation of Water in Salt Crusts: Insights from Experiments and Molecular Simulations,” 2023, doi: 10.26434/chemrxiv-2023-6dml7.
  2. 2022

    1. S. Liese, A. Schlaich, and R. R. Netz, “Dielectric Constant of Aqueous Solutions of Proteins and Organic Polymers from Molecular Dynamics Simulations,” The Journal of Chemical Physics, 2022, doi: 10.1063/5.0089397.
    2. S. Gravelle, D. Beyer, M. Brito, A. Schlaich, and C. Holm, “Preprint: Reconstruction of NMR Relaxation Rates from Coarse-Grained Polymer Simulations,” 2022, doi: 10.26434/chemrxiv-2022-f90tv.
    3. S. Gravelle, C. Holm, and A. Schlaich, “Transport of thin water films: from thermally activated random walks to hydrodynamics,” The Journal of Chemical Physics, 2022, doi: 10.1063/5.0099646.
    4. V. Artemov et al., “Preprint: Elucidating contact electrification mechanism of water,” 2022.
  3. 2021

    1. A. Schlaich, D. Jin, L. Bocquet, and B. Coasne, “Electronic screening using a virtual Thomas--Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces,” Nature Materials, Nov. 2021, doi: 10.1038/s41563-021-01121-0.
    2. G. Gonella et al., “Water at charged interfaces,” Nature Reviews Chemistry, vol. 5, no. 7, Art. no. 7, Jul. 2021, doi: 10.1038/s41570-021-00293-2.
    3. I. Tischler, A. Schlaich, and C. Holm, “The Presence of a Wall Enhances the Probability for Ring-Closing Metathesis: Insights from Classical Polymer Theory and Atomistic Simulations,” Macromolecular Theory and Simulations, vol. 30, no. 2, Art. no. 2, 2021, doi: 10.1002/mats.202000076.
  4. 2020

    1. P. Loche, C. Ayaz, A. Wolde-Kidan, A. Schlaich, and R. R. Netz, “Universal and Nonuniversal Aspects of Electrostatics in Aqueous Nanoconfinement,” The Journal of Physical Chemistry B, vol. 124, no. 21, Art. no. 21, 2020, doi: 10.1021/acs.jpcb.0c01967.
    2. J. C. F. Schulz, A. Schlaich, M. Heyden, R. R. Netz, and J. Kappler, “Molecular interpretation of the non-Newtonian viscoelastic behavior of liquid water at high frequencies,” Phys. Rev. Fluids, vol. 5, no. 10, Art. no. 10, Oct. 2020, doi: 10.1103/PhysRevFluids.5.103301.
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