Publications

Computer prediction of second harmonic generation at interfaces: NaCl aqueous solution in contact with (101) quartz surfaces

N. Shukurov; A. Djeukeng Momo; Z. Futera; B. Chu; A. Marchioro et al. 

Journal of Molecular Liquids. 2025. Vol. 438, p. 128539. DOI : 10.1016/j.molliq.2025.128539.

Unraveling the Molecular Pathways for Structure “Making” and “Breaking” by Ions in Water

M. Flór; V. Vorobev; V. Mandalaparthy; N. F. A. van der Vegt; P. S. Cremer et al. 

Journal of the American Chemical Society. 2025. DOI : 10.1021/jacs.5c10984.

Interfacial Self-Assembly of Sugars at Nanoscale Membranes Leads to Micron-Scale, Spectroscopically Ice-Like Chiral Suprastructures of Water

L. Zhang; J. Liu; K. Voïtchovsky; C. E. Rani; S. Pullanchery et al. 

Journal of the American Chemical Society. 2025. DOI : 10.1021/jacs.5c05215.

Solvent Redistribution Method To Determine Solubility and Aggregation: High Throughput, Accuracy, and Sustainability

O. B. Tarun; N. Dupertuis; D. M. Wilkins; S. Roke 

The Journal of Physical Chemistry B. 2025. DOI : 10.1021/acs.jpcb.5c03073.

Sum-Frequency Scattering Spectroscopy Reveals the Charging Mechanism and Surface Structure of hBN Nanoflakes in Solution

B. Rehl; N. Ronceray; L. Zhang; A. Rađenović; S. Roke 

ACS Nano. 2025. DOI : 10.1021/acsnano.5c03589.

Finite Volume Effects in Water Nanodroplets: A Molecular Level Investigation

L. Zhang; S. Pullanchery; P. S. Cremer; S. Roke 

ACS Nano. 2025. DOI : 10.1021/acsnano.5c04422.

Optical Properties Control of Hollow Core Microstructured Optical Fibers by Layer-by-Layer Assembled Quantum Dots and Annealing

V. Vorobev; O. Goryacheva; J. Skibina; A. Kozyrev; A. Smirnov et al. 

ANNALEN DER PHYSIK. 2025. DOI : 10.1002/andp.202400147.

Membrane Potential Fluctuations and Water Asymmetry on Plasma Cell and Model Lipid Membranes: Origins, Implications and Properties

Z. Li; I. Swiderska; L. Dalifoski; S. Lee; N. A. Correa-Rojas et al. 

FARADAY DISCUSSIONS. 2025. DOI : 10.1039/d4fd00197d.

Droplets inside out: Molecular level studies of water at nanoscale aqueous interfaces

L. Zhang / S. Roke (Dir.)  

Lausanne, EPFL, 2025. 

Method, computer readable medium and apparatus for determining an aggregation state of a solute in a solvent

O. B. Tarun; N. Dupertuis; S. Roke 

WO2025082878; EP4542204.

2025.

Correlated vibrational spectroscopy: A new window into molecular interactions

M. S. Flór / S. Roke (Dir.)  

Lausanne, EPFL, 2025. 

Dissecting the hydrogen bond network of water: Charge transfer and nuclear quantum effects

M. Flór; D. M. Wilkins; M. de la Puente; D. Laage; G. Cassone et al. 

Science. 2024. Vol. 386, num. 6726. DOI : 10.1126/science.ads4369.

pH drives electron density fluctuations that enhance electric field-induced liquid flow

S. Pullanchery; S. Kulik; T. Schönfeldová; C. K. Egan; G. Cassone et al. 

Nature Communications. 2024. Vol. 15, num. 1. DOI : 10.1038/s41467-024-50030-8.

Dynamic Second Harmonic Imaging of Proton Translocation Through Water Needles in Lipid Membranes

S. Lee; C. S. Poojari; A. Maznichenko; D. Roesel; I. Swiderska et al. 

Journal of the American Chemical Society. 2024. Vol. 146, num. 29, p. 19818 – 19827. DOI : 10.1021/jacs.4c02810.

Does the ionic distribution in the electrical double layer modify second harmonic scattering?

B. Chu; S. Roke; A. Marchioro 

The Journal of Chemical Physics. 2024. Vol. 160, num. 19. DOI : 10.1063/5.0198247.

Dissecting the membrane association mechanism of aerolysin pore at femtomolar concentrations using water as a probe

T. Roesel; C. Cao; J. F. Bada Juarez; M. Dal Peraro; S. Roke 

2024.

Quantified interface chemistry and biophysics via water imaging

S. Roke 

2024. Conference on Advanced Chemical Microscopy for Life Science and Translational Medicine, San Francisco, CA, JAN 27-29, 2024. DOI : 10.1117/12.3003675.

Second harmonic scattering of nanoparticles: A journey into the electrical double layer

B. Chu / S. Roke; A. Marchioro (Dir.)  

Lausanne, EPFL, 2024. 

Rapid low-cost hyperspectral imaging system for quantitative assessment of infantile hemangioma

S. Perkov; V. Vorobev; M. A. Kurochkin; S. Gorodkov; D. Gorin 

Journal Of Biophotonics. 2023. DOI : 10.1002/jbio.202300375.

Liposomes and Lipid Droplets Display a Reversal of Charge-Induced Hydration Asymmetry

S. Pullanchery; N. Dupertuis; T. Roesel; S. Roke 

Nano Letters. 2023. Vol. 23, num. 21, p. 9858 – 9864. DOI : 10.1021/acs.nanolett.3c02653.