3 papers
physics.chem-ph2026
Microscopic Structure and Dynamics of Interfacial Water at Fluorinated vs Nonfluorinated Surfaces -- Insights from Ab-Initio Simulations and IR Spectroscopy
Maximilian R. Becker, Ruben Cruz, Kenichi Ataka +2
Per- and polyfluoroalkyl substances are a class of synthetic chemical compounds widely used as coatings to lower surface energies. Yet the microscopic mechanisms of their weak inte…
cond-mat.stat-mech2025
Beyond the Electric Dipole Approximation: Electric and Magnetic Multipole Contributions Reveal Biaxial Water Structure from SFG Spectra at the Air-Water Interface
Louis Lehmann, Maximilian R. Becker, Lucas Tepper +4
The interpretation of sum-frequency-generation (SFG) spectra has been severely limited by the absence of quantitative theoretical predictions of higher-order multipole contribution…
cond-mat.mes-hall2023
Collective modes and quantum effects in two-dimensional nanofluidic channels
Baptiste Coquinot, Maximilian Becker, Roland R. Netz +2
Nanoscale fluid transport is typically pictured in terms of atomic-scale dynamics, as is natural in the real-space framework of molecular simulations. An alternative Fourier-space…