Atomistic Insights into Water-Driven Materials
- TH Department Seminar
- Datum: 07.05.2026
- Uhrzeit: 14:00
- Vortragende(r): Prof. Robert Meißner
- Technische Universität Hamburg, Institut für Grenzflächenphysik und -technologie, Hamburg, Germany
- Ort: https://zoom.us/j/97708850189?pwd=AFGcd98Sl1EXwtLHvWA1Il5YrwF5ao.1
- Raum: Meeting-ID: 977 0885 0189 Passcode: 452051
- Gastgeber: TH Department
Due to its ubiquity and unique structural dynamics, water plays a
pivotal role as a “working fluid” in shaping the properties and
functionality of natural materials. Drawing inspiration from these
marvels of nature, I will present activities of our BlueMat project. At
the core of the project is to develop a novel class of sustainable,
interactive, architected "Blue Materials" that derive their
functionality from the multiscale structures of hard matter interacting
with water. To this end, we will study and exploit novel effects,
achieved, for example, through nanoconfinement of water.
This talk will focus on the simulation aspects of the project, showcasing novel features in our ELECTRODE package for LAMMPS [1], such as the QEq extension [2], and demonstrating how these features can be used to harvest energy from temperature differences via the electrolytic Seebeck effect [3] and capillarity-driven imbibition and drying cycles in nanopores [4]. Additionally, I will present an overview of our plans to expand ELECTRODE's capabilities to support machine learning force fields, which have previously been used to model the interface between water and materials such as Au, Pt, graphene, and MoS2 [5]. This extension should allow for a broader and efficient description of electrified solid-liquid interfaces.
[1] L. Ahrens-Iwers, M. Janssen, S. Tee, R. Meißner, The Journal of Chemical Physics, 157, (2022)
[2] K. Savvidi, L. Ahrens-Iwers, L. Colombi Ciacchi, D. Zahn, M. Müser, R. Meißner, The Journal of Chemical Physics, 162, (2025)
[3] O. Nickel, L. Ahrens-Iwers, R. Meißner, M. Janssen, Phys. Rev. Lett., 132, 186201 (2024)
[4] J. Sanchez, L. Dammann, L. Gallardo, Z. Li, M. Fröba, R. Meißner, H. Stone, P. Huber, Proc. Natl. Acad. Sci. U.S.A., 121, (2024)
[5] J. Gäding, V. Della Balda, J. Lan, J. Konrad, M. Iannuzzi, R. Meißner, G. Tocci, Proc. Natl. Acad. Sci. U.S.A., 121, (2024)
This talk will focus on the simulation aspects of the project, showcasing novel features in our ELECTRODE package for LAMMPS [1], such as the QEq extension [2], and demonstrating how these features can be used to harvest energy from temperature differences via the electrolytic Seebeck effect [3] and capillarity-driven imbibition and drying cycles in nanopores [4]. Additionally, I will present an overview of our plans to expand ELECTRODE's capabilities to support machine learning force fields, which have previously been used to model the interface between water and materials such as Au, Pt, graphene, and MoS2 [5]. This extension should allow for a broader and efficient description of electrified solid-liquid interfaces.
[1] L. Ahrens-Iwers, M. Janssen, S. Tee, R. Meißner, The Journal of Chemical Physics, 157, (2022)
[2] K. Savvidi, L. Ahrens-Iwers, L. Colombi Ciacchi, D. Zahn, M. Müser, R. Meißner, The Journal of Chemical Physics, 162, (2025)
[3] O. Nickel, L. Ahrens-Iwers, R. Meißner, M. Janssen, Phys. Rev. Lett., 132, 186201 (2024)
[4] J. Sanchez, L. Dammann, L. Gallardo, Z. Li, M. Fröba, R. Meißner, H. Stone, P. Huber, Proc. Natl. Acad. Sci. U.S.A., 121, (2024)
[5] J. Gäding, V. Della Balda, J. Lan, J. Konrad, M. Iannuzzi, R. Meißner, G. Tocci, Proc. Natl. Acad. Sci. U.S.A., 121, (2024)